(2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one

C9H15NO2 — CID 7357026

IUPAC(2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(C)=C(C)[C@H]1O
InChIInChI=1S/C9H15NO2/c1-4-5-10-8(11)6(2)7(3)9(10)12/h8,11H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyQWVQMHZSOJBWNR-MRVPVSSYSA-N
MW169.22 g/mol
LogP0.89
Rot. Bonds2

About (2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one

(2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one (PubChem CID 7357026) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one
PubChem CID7357026
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(C)=C(C)[C@H]1O
InChIInChI=1S/C9H15NO2/c1-4-5-10-8(11)6(2)7(3)9(10)12/h8,11H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyQWVQMHZSOJBWNR-MRVPVSSYSA-N
XLogP0.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one 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 (2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one?
The IUPAC name of (2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one (CID 7357026) is (2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one is CCCN1C(=O)C(C)=C(C)[C@H]1O.
What is the InChIKey of (2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one?
The InChIKey is QWVQMHZSOJBWNR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-10-8(11)6(2)7(3)9(10)12/h8,11H,4-5H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one?
(2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one has a molecular weight of 169.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 7357026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).