4-methyl-1H-pyrrol-2-ol

C5H7NO — CID 70032924

IUPAC4-methyl-1H-pyrrol-2-ol
SMILESCc1c[nH]c(O)c1
InChIInChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h2-3,6-7H,1H3
InChIKeyVWSIKLGQLQXNIX-UHFFFAOYSA-N
MW97.12 g/mol
LogP1.03
Rot. Bonds

About 4-methyl-1H-pyrrol-2-ol

4-methyl-1H-pyrrol-2-ol (PubChem CID 70032924) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 4-methyl-1H-pyrrol-2-ol.

Molecular Properties

Compound Name4-methyl-1H-pyrrol-2-ol
PubChem CID70032924
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name4-methyl-1H-pyrrol-2-ol
SMILESCc1c[nH]c(O)c1
InChIInChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h2-3,6-7H,1H3
InChIKeyVWSIKLGQLQXNIX-UHFFFAOYSA-N
XLogP1.03
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-methyl-1H-pyrrol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrrol-2-ol?
The IUPAC name of 4-methyl-1H-pyrrol-2-ol (CID 70032924) is 4-methyl-1H-pyrrol-2-ol.
What is the SMILES notation for 4-methyl-1H-pyrrol-2-ol?
The canonical SMILES for 4-methyl-1H-pyrrol-2-ol is Cc1c[nH]c(O)c1.
What is the InChIKey of 4-methyl-1H-pyrrol-2-ol?
The InChIKey is VWSIKLGQLQXNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h2-3,6-7H,1H3.
What are the key properties of 4-methyl-1H-pyrrol-2-ol?
4-methyl-1H-pyrrol-2-ol has a molecular weight of 97.12 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrrol-2-ol is sourced from PubChem (CID 70032924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).