3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide

C8H12N2O3 — CID 90268081

IUPAC3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1C(=O)C=CC1O
InChIInChI=1S/C8H12N2O3/c1-9-6(11)4-5-10-7(12)2-3-8(10)13/h2-3,7,12H,4-5H2,1H3,(H,9,11)
InChIKeyUOWDYJZQZJRBGE-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.16
Rot. Bonds3

About 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide

3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide (PubChem CID 90268081) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide
PubChem CID90268081
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1C(=O)C=CC1O
InChIInChI=1S/C8H12N2O3/c1-9-6(11)4-5-10-7(12)2-3-8(10)13/h2-3,7,12H,4-5H2,1H3,(H,9,11)
InChIKeyUOWDYJZQZJRBGE-UHFFFAOYSA-N
XLogP-1.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide (CID 90268081) is 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide is CNC(=O)CCN1C(=O)C=CC1O.
What is the InChIKey of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide?
The InChIKey is UOWDYJZQZJRBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-9-6(11)4-5-10-7(12)2-3-8(10)13/h2-3,7,12H,4-5H2,1H3,(H,9,11).
What are the key properties of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide?
3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide has a molecular weight of 184.19 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 90268081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).