1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol

C8H13NO2 — CID 66399124

IUPAC1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol
SMILESCC(O)Cn1ccc(CO)c1
InChIInChI=1S/C8H13NO2/c1-7(11)4-9-3-2-8(5-9)6-10/h2-3,5,7,10-11H,4,6H2,1H3
InChIKeyQPJFCSYJIZKWRD-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.36
Rot. Bonds3

About 1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol

1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol (PubChem CID 66399124) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol
PubChem CID66399124
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol
SMILESCC(O)Cn1ccc(CO)c1
InChIInChI=1S/C8H13NO2/c1-7(11)4-9-3-2-8(5-9)6-10/h2-3,5,7,10-11H,4,6H2,1H3
InChIKeyQPJFCSYJIZKWRD-UHFFFAOYSA-N
XLogP0.36
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(hydroxymethyl)pyrrol-1-yl]propan-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 1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol?
The IUPAC name of 1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol (CID 66399124) is 1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol is CC(O)Cn1ccc(CO)c1.
What is the InChIKey of 1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol?
The InChIKey is QPJFCSYJIZKWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(11)4-9-3-2-8(5-9)6-10/h2-3,5,7,10-11H,4,6H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol?
1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol has a molecular weight of 155.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol is sourced from PubChem (CID 66399124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).