(5S)-5-(2-ethylphenyl)pyrrolidin-2-one

C12H15NO — CID 130615199

IUPAC(5S)-5-(2-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccccc1[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H15NO/c1-2-9-5-3-4-6-10(9)11-7-8-12(14)13-11/h3-6,11H,2,7-8H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyCPZFDANIUPTHOL-NSHDSACASA-N
MW189.26 g/mol
LogP2.20
Rot. Bonds2

About (5S)-5-(2-ethylphenyl)pyrrolidin-2-one

(5S)-5-(2-ethylphenyl)pyrrolidin-2-one (PubChem CID 130615199) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (5S)-5-(2-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(2-ethylphenyl)pyrrolidin-2-one
PubChem CID130615199
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(5S)-5-(2-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccccc1[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H15NO/c1-2-9-5-3-4-6-10(9)11-7-8-12(14)13-11/h3-6,11H,2,7-8H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyCPZFDANIUPTHOL-NSHDSACASA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(2-ethylphenyl)pyrrolidin-2-one (CID 130615199) is (5S)-5-(2-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(2-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(2-ethylphenyl)pyrrolidin-2-one is CCc1ccccc1[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-(2-ethylphenyl)pyrrolidin-2-one?
The InChIKey is CPZFDANIUPTHOL-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO/c1-2-9-5-3-4-6-10(9)11-7-8-12(14)13-11/h3-6,11H,2,7-8H2,1H3,(H,13,14)/t11-/m0/s1.
What are the key properties of (5S)-5-(2-ethylphenyl)pyrrolidin-2-one?
(5S)-5-(2-ethylphenyl)pyrrolidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 130615199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).