2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile

C14H12ClN5O — CID 169339282

IUPAC2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(C(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C14H12ClN5O/c15-12-4-3-10(14(21)20-5-1-2-6-20)7-13(12)19-18-11(8-16)9-17/h3-4,7,19H,1-2,5-6H2
InChIKeyBWABGSWNARIIFL-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.39
Rot. Bonds3

About 2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile

2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169339282) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169339282
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(C(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C14H12ClN5O/c15-12-4-3-10(14(21)20-5-1-2-6-20)7-13(12)19-18-11(8-16)9-17/h3-4,7,19H,1-2,5-6H2
InChIKeyBWABGSWNARIIFL-UHFFFAOYSA-N
XLogP2.39
TPSA92.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-chloro-5-(piperidine-1-carbonyl)anilino]methylidene]propanedinitrile
CID 168541678
2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
CID 169340413
4-(azepan-1-yl)-3-[2-(dicyanomethylidene)hydrazinyl]benzoic acid
CID 169338216
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 72863358
2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile
CID 169340013
azocan-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841525
methyl 2-chloro-5-(pyrrolidine-1-carbonyl)benzoate
CID 155961213
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044377

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile (CID 169339282) is 2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cc(C(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is BWABGSWNARIIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c15-12-4-3-10(14(21)20-5-1-2-6-20)7-13(12)19-18-11(8-16)9-17/h3-4,7,19H,1-2,5-6H2.
What are the key properties of 2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 301.74 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).