(4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid

C11H12ClNO3 — CID 142352390

IUPAC(4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid
SMILESO=C1C[C@H](c2ccc(Cl)cc2)CN1.O=CO
InChIInChI=1S/C10H10ClNO.CH2O2/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8;2-1-3/h1-4,8H,5-6H2,(H,12,13);1H,(H,2,3)/t8-;/m0./s1
InChIKeyZKGYAUBOXNGPDY-QRPNPIFTSA-N
MW241.67 g/mol
LogP1.64
Rot. Bonds1

About (4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid

(4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid (PubChem CID 142352390) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is (4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid.

Molecular Properties

Compound Name(4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid
PubChem CID142352390
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name(4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid
SMILESO=C1C[C@H](c2ccc(Cl)cc2)CN1.O=CO
InChIInChI=1S/C10H10ClNO.CH2O2/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8;2-1-3/h1-4,8H,5-6H2,(H,12,13);1H,(H,2,3)/t8-;/m0./s1
InChIKeyZKGYAUBOXNGPDY-QRPNPIFTSA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
4-(5-oxopyrrolidin-3-yl)benzoic acid
CID 82609571
(6S)-6-(4-chlorophenyl)azepan-2-one
CID 97102781
4-(4-acetylphenyl)pyrrolidin-2-one
CID 53417765
4-phenylpyrrolidin-2-one;hydrate
CID 171699854
(4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate
CID 142352445
(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71742226
(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
CID 124634608
formic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one
CID 155972311
(4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 124634597
4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
CID 53417800
(4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one
CID 124634504

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid?
The IUPAC name of (4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid (CID 142352390) is (4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid.
What is the SMILES notation for (4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid?
The canonical SMILES for (4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid is O=C1C[C@H](c2ccc(Cl)cc2)CN1.O=CO.
What is the InChIKey of (4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid?
The InChIKey is ZKGYAUBOXNGPDY-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H10ClNO.CH2O2/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8;2-1-3/h1-4,8H,5-6H2,(H,12,13);1H,(H,2,3)/t8-;/m0./s1.
What are the key properties of (4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid?
(4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid has a molecular weight of 241.67 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid is sourced from PubChem (CID 142352390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).