1H-pyrrol-2-ylmethanol

C5H7NO — CID 11073348

IUPAC1H-pyrrol-2-ylmethanol
SMILESOCc1ccc[nH]1
InChIInChI=1S/C5H7NO/c7-4-5-2-1-3-6-5/h1-3,6-7H,4H2
InChIKeyKORIJXKQGMTQTO-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.51
Rot. Bonds1

About 1H-pyrrol-2-ylmethanol

1H-pyrrol-2-ylmethanol (PubChem CID 11073348) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 1H-pyrrol-2-ylmethanol.

Molecular Properties

Compound Name1H-pyrrol-2-ylmethanol
PubChem CID11073348
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name1H-pyrrol-2-ylmethanol
SMILESOCc1ccc[nH]1
InChIInChI=1S/C5H7NO/c7-4-5-2-1-3-6-5/h1-3,6-7H,4H2
InChIKeyKORIJXKQGMTQTO-UHFFFAOYSA-N
XLogP0.51
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1H-pyrrol-2-ylmethanol 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 1H-pyrrol-2-ylmethanol?
The IUPAC name of 1H-pyrrol-2-ylmethanol (CID 11073348) is 1H-pyrrol-2-ylmethanol.
What is the SMILES notation for 1H-pyrrol-2-ylmethanol?
The canonical SMILES for 1H-pyrrol-2-ylmethanol is OCc1ccc[nH]1.
What is the InChIKey of 1H-pyrrol-2-ylmethanol?
The InChIKey is KORIJXKQGMTQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c7-4-5-2-1-3-6-5/h1-3,6-7H,4H2.
What are the key properties of 1H-pyrrol-2-ylmethanol?
1H-pyrrol-2-ylmethanol has a molecular weight of 97.12 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-ylmethanol is sourced from PubChem (CID 11073348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).