(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

C19H19NO2 — CID 59318478

IUPAC(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CC[C@H]1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c1-14(21)20-18(11-12-19(20)22)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3/t18-/m0/s1
InChIKeyPWCYRANVDWZMJF-SFHVURJKSA-N
MW293.37 g/mol
LogP3.43
Rot. Bonds3

About (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (PubChem CID 59318478) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
PubChem CID59318478
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CC[C@H]1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c1-14(21)20-18(11-12-19(20)22)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3/t18-/m0/s1
InChIKeyPWCYRANVDWZMJF-SFHVURJKSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (CID 59318478) is (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is CC(=O)N1C(=O)CC[C@H]1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is PWCYRANVDWZMJF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14(21)20-18(11-12-19(20)22)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 59318478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).