3-Methyl-1H-pyrrole

CAT: 0013-GTR19254775Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19254775Size:25 mg

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Description

3-Methyl-1H-pyrrole has a Kd value of 159 μM for t4 lysozyme, as determined by molecular docking, and is widely used in biochemical experiments and drug synthesis research.

CAS Number

616-43-3

Field of Research

Cell Biology

Purity

97.12% (May vary between batches)

Smiles

C1=CC (=CN1) C

Molecular Formula

C5H7N

Molecular Weight

81.12

Storage Conditions

Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.

Notes

For research use only.

Chemical Information

1H-Pyrrole, 3-methyl-

CAS Number	616-43-3
PubChem CID	12023
IUPAC Name	3-methyl-1H-pyrrole
Molecular Formula	C5H7N
Molecular Weight	81.12
XLogP	1.1
Topological Polar Surface Area	15.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	43

SMILES

CC1=CNC=C1

InChI

InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3

InChIKey

FEKWWZCCJDUWLY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 616-43-3

CID: 12023

Formula: C5H7N

MW: 81.12

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	81.12
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	81.057849228
Monoisotopic Mass	81.057849228
Topological Polar Surface Area	15.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	43.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TN9620-01	3-Methyl-1H-pyrrole
abx181565-01	1H-Pyrrole, 3-methyl-
sc-235653	Methyl 1H-pyrrole-3-carboxylate
QBA31815	Methyl 4-methyl-1H-pyrrole-3-carboxylate
abx181315-01	Methyl 3-methyl-1h-pyrrole-2-carboxylate
DAA16885-01	Methyl 2-methyl-1H-pyrrole-3-carboxylate
TN9358-01	2-Methyl-1H-pyrrole
OR5110-01	1-Methyl-1H-pyrrole
OR1038189-01	3-Methyl-1H-pyrrole-2-carboxamide
OR510123-01	3-Methyl-1H-pyrrole-2-carbaldehyde

3-Methyl-1H-pyrrole

Chemical Information

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