N-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C15H17N3O2 — CID 3155980

IUPACN-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc(C#N)cc2)CC1=O
InChIInChI=1S/C15H17N3O2/c1-10(2)18-9-12(7-14(18)19)15(20)17-13-5-3-11(8-16)4-6-13/h3-6,10,12H,7,9H2,1-2H3,(H,17,20)
InChIKeyLSHNCVCCBBHLMR-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.75
Rot. Bonds3

About N-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 3155980) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID3155980
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc(C#N)cc2)CC1=O
InChIInChI=1S/C15H17N3O2/c1-10(2)18-9-12(7-14(18)19)15(20)17-13-5-3-11(8-16)4-6-13/h3-6,10,12H,7,9H2,1-2H3,(H,17,20)
InChIKeyLSHNCVCCBBHLMR-UHFFFAOYSA-N
XLogP1.75
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 3155980) is N-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2ccc(C#N)cc2)CC1=O.
What is the InChIKey of N-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is LSHNCVCCBBHLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(2)18-9-12(7-14(18)19)15(20)17-13-5-3-11(8-16)4-6-13/h3-6,10,12H,7,9H2,1-2H3,(H,17,20).
What are the key properties of N-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3155980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).