(3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one

C9H17NO2 — CID 155363840

IUPAC(3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@]1(O)C(=O)N(C)CC1C
InChIInChI=1S/C9H17NO2/c1-6(2)9(12)7(3)5-10(4)8(9)11/h6-7,12H,5H2,1-4H3/t7?,9-/m1/s1
InChIKeyZXVUGAWQNRHJSN-NHSZFOGYSA-N
MW171.24 g/mol
LogP0.48
Rot. Bonds1

About (3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one

(3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one (PubChem CID 155363840) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one
PubChem CID155363840
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@]1(O)C(=O)N(C)CC1C
InChIInChI=1S/C9H17NO2/c1-6(2)9(12)7(3)5-10(4)8(9)11/h6-7,12H,5H2,1-4H3/t7?,9-/m1/s1
InChIKeyZXVUGAWQNRHJSN-NHSZFOGYSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-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 (3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one (CID 155363840) is (3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one is CC(C)[C@]1(O)C(=O)N(C)CC1C.
What is the InChIKey of (3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is ZXVUGAWQNRHJSN-NHSZFOGYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)9(12)7(3)5-10(4)8(9)11/h6-7,12H,5H2,1-4H3/t7?,9-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one?
(3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 155363840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).