2-methyl-2H-pyrrole

C5H7N — CID 18970006

IUPAC2-methyl-2H-pyrrole
SMILESCC1C=CC=N1
InChIInChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-5H,1H3
InChIKeyLLNIJJUAEAHGNR-UHFFFAOYSA-N
MW81.12 g/mol
LogP0.30
Rot. Bonds

About 2-methyl-2H-pyrrole

2-methyl-2H-pyrrole (PubChem CID 18970006) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 2-methyl-2H-pyrrole.

Molecular Properties

Compound Name2-methyl-2H-pyrrole
PubChem CID18970006
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name2-methyl-2H-pyrrole
SMILESCC1C=CC=N1
InChIInChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-5H,1H3
InChIKeyLLNIJJUAEAHGNR-UHFFFAOYSA-N
XLogP0.30
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity92

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2H-pyrrole
CID 12554804
2-Methyl-2,3-dihydropyridine
CID 21652564
2,5-Dimethyl-2H-pyrrole
CID 21811124
2-(trifluoromethyl)-2H-pyrrole
CID 67621404
4-fluoro-2-methyl-2H-pyrrole
CID 148435383
4-Azaspiro[2.4]hepta-1,4,6-triene
CID 71445357
Pyrrole-spiro-pyrrole
CID 129739832
1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine
CID 89251919
N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine
CID 89251952
1-(2-fluoropyrrol-2-yl)-N-methylmethanimine
CID 89252040
2,3-dimethyl-2H-pyrrole
CID 14938985
1,2,5-trimethyl-2H-pyrrol-1-ium
CID 20749699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2H-pyrrole?
The IUPAC name of 2-methyl-2H-pyrrole (CID 18970006) is 2-methyl-2H-pyrrole.
What is the SMILES notation for 2-methyl-2H-pyrrole?
The canonical SMILES for 2-methyl-2H-pyrrole is CC1C=CC=N1.
What is the InChIKey of 2-methyl-2H-pyrrole?
The InChIKey is LLNIJJUAEAHGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-5H,1H3.
What are the key properties of 2-methyl-2H-pyrrole?
2-methyl-2H-pyrrole has a molecular weight of 81.12 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2H-pyrrole is sourced from PubChem (CID 18970006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).