5-methyl-2H-pyrrole

C5H7N — CID 12554804

IUPAC5-methyl-2H-pyrrole
SMILESCC1=NCC=C1
InChIInChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-3H,4H2,1H3
InChIKeyXXTXAFASROUSBD-UHFFFAOYSA-N
MW81.12 g/mol
LogP1.02
Rot. Bonds

About 5-methyl-2H-pyrrole

5-methyl-2H-pyrrole (PubChem CID 12554804) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 5-methyl-2H-pyrrole.

Molecular Properties

Compound Name5-methyl-2H-pyrrole
PubChem CID12554804
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name5-methyl-2H-pyrrole
SMILESCC1=NCC=C1
InChIInChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-3H,4H2,1H3
InChIKeyXXTXAFASROUSBD-UHFFFAOYSA-N
XLogP1.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2H-pyrrole
CID 18970006
2,5-Dimethyl-2H-pyrrole
CID 21811124
5-(trifluoromethyl)-2H-pyrrole
CID 58924994
2-methyl-5-(trifluoromethyl)-2H-pyrrole
CID 147083581
(Z)-N-ethyl-5-fluoropent-3-en-2-imine
CID 166974523
5-(difluoromethyl)-2H-pyrrole
CID 174763302
5-(1,1-difluoroethyl)-2H-pyrrole
CID 145200832
4-fluoro-5-methyl-2H-pyrrole
CID 165078351
CID 11138473
CID 11138473
N-methylcyclopenta-2,4-dien-1-imine
CID 14340288
N-methylpent-3-en-2-imine
CID 15325554
5-propan-2-yl-2H-pyrrole
CID 18736790

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-pyrrole?
The IUPAC name of 5-methyl-2H-pyrrole (CID 12554804) is 5-methyl-2H-pyrrole.
What is the SMILES notation for 5-methyl-2H-pyrrole?
The canonical SMILES for 5-methyl-2H-pyrrole is CC1=NCC=C1.
What is the InChIKey of 5-methyl-2H-pyrrole?
The InChIKey is XXTXAFASROUSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-3H,4H2,1H3.
What are the key properties of 5-methyl-2H-pyrrole?
5-methyl-2H-pyrrole has a molecular weight of 81.12 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-pyrrole is sourced from PubChem (CID 12554804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).