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1-Methyl-1H-pyrrole

CAT: 0127-OR5110-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR5110-01Size:25 g
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CAS Number
96-54-8
MDL Number
MFCD00005345
Purity
99%
Smiles
Cn1cccc1

Chemical Information

1-Methylpyrrole

1-Methylpyrrole is a member of pyrroles.

CAS Number96-54-8
PubChem CID7304
IUPAC Name1-methylpyrrole
Molecular FormulaC5H7N
Molecular Weight81.12
XLogP1.2
Topological Polar Surface Area4.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity37
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
2D structure of 1-Methylpyrrole
CAS: 96-54-8
CID: 7304
Formula: C5H7N
MW: 81.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight81.12
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass81.057849228
Monoisotopic Mass81.057849228
Topological Polar Surface Area4.9 Ų
Heavy Atom Count6
Formal Charge0
Complexity37.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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