N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C14H12N4O2 — CID 20842923

IUPACN-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESN#CC(C#N)NC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C14H12N4O2/c15-7-11(8-16)17-14(20)10-6-13(19)18(9-10)12-4-2-1-3-5-12/h1-5,10-11H,6,9H2,(H,17,20)
InChIKeyYPQDUUSQZPLJOP-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.57
Rot. Bonds3

About N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 20842923) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID20842923
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESN#CC(C#N)NC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C14H12N4O2/c15-7-11(8-16)17-14(20)10-6-13(19)18(9-10)12-4-2-1-3-5-12/h1-5,10-11H,6,9H2,(H,17,20)
InChIKeyYPQDUUSQZPLJOP-UHFFFAOYSA-N
XLogP0.57
TPSA96.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid
CID 39889994
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
CID 7438121
(3R)-5-oxo-1-phenyl-N-[(1R)-1-phenylpropyl]pyrrolidine-3-carboxamide
CID 26365378
N-heptan-2-yl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687120
(3S)-N-[(1R)-1,2-diphenylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 93017480
N-[1-(2-chlorophenyl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46407436
(3S)-N-[(2S)-1-(cyclopropylamino)-3-methyl-1-oxobutan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39312213
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
(3R)-N-[(2R)-2-hydroxypropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7034624
N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56727589
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 91639880

Frequently Asked Questions

What is the IUPAC name of N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 20842923) is N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is N#CC(C#N)NC(=O)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is YPQDUUSQZPLJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-7-11(8-16)17-14(20)10-6-13(19)18(9-10)12-4-2-1-3-5-12/h1-5,10-11H,6,9H2,(H,17,20).
What are the key properties of N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyanomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 20842923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).