2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile

C15H14N4O — CID 47121471

IUPAC2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile
SMILESN#CC(C#N)=CNc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C15H14N4O/c16-9-12(10-17)11-18-14-6-2-1-5-13(14)15(20)19-7-3-4-8-19/h1-2,5-6,11,18H,3-4,7-8H2
InChIKeyGGWBBOSCTLYBDJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.27
Rot. Bonds3

About 2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile

2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile (PubChem CID 47121471) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile
PubChem CID47121471
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile
SMILESN#CC(C#N)=CNc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C15H14N4O/c16-9-12(10-17)11-18-14-6-2-1-5-13(14)15(20)19-7-3-4-8-19/h1-2,5-6,11,18H,3-4,7-8H2
InChIKeyGGWBBOSCTLYBDJ-UHFFFAOYSA-N
XLogP2.27
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-methylpiperidine-1-carbonyl)anilino]methylidene]propanedinitrile
CID 168542090
2-[[2-(4-ethylpiperazine-1-carbonyl)anilino]methylidene]propanedinitrile
CID 168544630
2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
CID 169340413
2-[[2-chloro-5-(piperidine-1-carbonyl)anilino]methylidene]propanedinitrile
CID 168541678
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid
CID 50969463
methyl 2-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzoate
CID 108862234
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide
CID 26485421

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile?
The IUPAC name of 2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile (CID 47121471) is 2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile is N#CC(C#N)=CNc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile?
The InChIKey is GGWBBOSCTLYBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-9-12(10-17)11-18-14-6-2-1-5-13(14)15(20)19-7-3-4-8-19/h1-2,5-6,11,18H,3-4,7-8H2.
What are the key properties of 2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile?
2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile has a molecular weight of 266.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile is sourced from PubChem (CID 47121471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).