(3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one

C12H15NO2 — CID 10867454

IUPAC(3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one
SMILESCC1(C)CN(c2ccccc2)C(=O)[C@H]1O
InChIInChI=1S/C12H15NO2/c1-12(2)8-13(11(15)10(12)14)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3/t10-/m1/s1
InChIKeyJJZWNUSNHASPHA-SNVBAGLBSA-N
MW205.26 g/mol
LogP1.42
Rot. Bonds1

About (3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one

(3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one (PubChem CID 10867454) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one
PubChem CID10867454
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one
SMILESCC1(C)CN(c2ccccc2)C(=O)[C@H]1O
InChIInChI=1S/C12H15NO2/c1-12(2)8-13(11(15)10(12)14)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3/t10-/m1/s1
InChIKeyJJZWNUSNHASPHA-SNVBAGLBSA-N
XLogP1.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one?
The IUPAC name of (3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one (CID 10867454) is (3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one is CC1(C)CN(c2ccccc2)C(=O)[C@H]1O.
What is the InChIKey of (3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one?
The InChIKey is JJZWNUSNHASPHA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2)8-13(11(15)10(12)14)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one?
(3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-4,4-dimethyl-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 10867454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).