(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide

C13H16N2O2 — CID 9350614

IUPAC(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C13H16N2O2/c1-14(2)13(17)10-8-12(16)15(9-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1
InChIKeyYTBIQPGPUIGJMQ-JTQLQIEISA-N
MW232.28 g/mol
LogP1.13
Rot. Bonds2

About (3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 9350614) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID9350614
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C13H16N2O2/c1-14(2)13(17)10-8-12(16)15(9-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1
InChIKeyYTBIQPGPUIGJMQ-JTQLQIEISA-N
XLogP1.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
1-(4-tert-butylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187256
(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9388957
N-ethyl-N-(2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080533
N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120559
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 9350614) is (3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide is CN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is YTBIQPGPUIGJMQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N2O2/c1-14(2)13(17)10-8-12(16)15(9-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9350614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).