3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide

C8H12N2O3 — CID 91477665

IUPAC3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide
SMILESCc1cc(O)n(CCC(N)=O)c1O
InChIInChI=1S/C8H12N2O3/c1-5-4-7(12)10(8(5)13)3-2-6(9)11/h4,12-13H,2-3H2,1H3,(H2,9,11)
InChIKeyMHICNJLCPOWJRC-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.08
Rot. Bonds3

About 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide

3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide (PubChem CID 91477665) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide
PubChem CID91477665
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide
SMILESCc1cc(O)n(CCC(N)=O)c1O
InChIInChI=1S/C8H12N2O3/c1-5-4-7(12)10(8(5)13)3-2-6(9)11/h4,12-13H,2-3H2,1H3,(H2,9,11)
InChIKeyMHICNJLCPOWJRC-UHFFFAOYSA-N
XLogP0.08
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide 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 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide?
The IUPAC name of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide (CID 91477665) is 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide.
What is the SMILES notation for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide?
The canonical SMILES for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide is Cc1cc(O)n(CCC(N)=O)c1O.
What is the InChIKey of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide?
The InChIKey is MHICNJLCPOWJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-4-7(12)10(8(5)13)3-2-6(9)11/h4,12-13H,2-3H2,1H3,(H2,9,11).
What are the key properties of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide?
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide has a molecular weight of 184.19 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide is sourced from PubChem (CID 91477665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).