4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile

C14H17N3O — CID 55025728

IUPAC4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile
SMILESCN(CC(=O)N1CCCC1)c1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O/c1-16(11-14(18)17-8-2-3-9-17)13-6-4-12(10-15)5-7-13/h4-7H,2-3,8-9,11H2,1H3
InChIKeyFAGRVZOFTGKGEN-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.62
Rot. Bonds3

About 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile

4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile (PubChem CID 55025728) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile
PubChem CID55025728
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile
SMILESCN(CC(=O)N1CCCC1)c1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O/c1-16(11-14(18)17-8-2-3-9-17)13-6-4-12(10-15)5-7-13/h4-7H,2-3,8-9,11H2,1H3
InChIKeyFAGRVZOFTGKGEN-UHFFFAOYSA-N
XLogP1.62
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
CID 31700565
2-[4-(aminomethyl)-N-methylanilino]-1-(azepan-1-yl)ethanone
CID 43275613
1-(azepan-1-yl)-2-(3,4-difluoro-N-methylanilino)ethanone
CID 60572912
3-[methyl-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]amino]benzonitrile
CID 62981010
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 78790285
2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 39256203
4-bromo-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 114901546
2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
CID 61440357
N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide
CID 60724445
propan-2-yl 2-(4-cyano-N-methylanilino)acetate
CID 62971958
2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 55211427
N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157359

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile?
The IUPAC name of 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile (CID 55025728) is 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile.
What is the SMILES notation for 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile?
The canonical SMILES for 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile is CN(CC(=O)N1CCCC1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile?
The InChIKey is FAGRVZOFTGKGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16(11-14(18)17-8-2-3-9-17)13-6-4-12(10-15)5-7-13/h4-7H,2-3,8-9,11H2,1H3.
What are the key properties of 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile?
4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile has a molecular weight of 243.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile is sourced from PubChem (CID 55025728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).