N-Methylpyrrole

CAT: 0572-TRC-M327015-250MLSize: 250 mLDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-M327015-250MLSize:250 mL

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CAS Number

96-54-8

Synonyms

1-Methyl-1H-pyrrole; 1-Methylpyrrole; NSC 65440;

Hazard Statement

Highly flammable liquid and vapour; UN number: UN1993; Packing Group: II

Smiles

Cn1cccc1

Molecular Formula

C5H7N

Molecular Weight

81.12

Shipping Conditions

Room Temperature

Chemical Information

1-Methylpyrrole

1-Methylpyrrole is a member of pyrroles.

CAS Number	96-54-8
PubChem CID	7304
IUPAC Name	1-methylpyrrole
Molecular Formula	C5H7N
Molecular Weight	81.12
XLogP	1.2
Topological Polar Surface Area	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	37

SMILES

CN1C=CC=C1

InChI

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

InChIKey

OXHNLMTVIGZXSG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 96-54-8

CID: 7304

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	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	81.057849228
Monoisotopic Mass	81.057849228
Topological Polar Surface Area	4.9 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	37.2
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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N-Methylpyrrole

Chemical Information

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