2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile

C17H10N4 — CID 136797981

IUPAC2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1Nc2ccccc2/C1=N\c1ccccc1
InChIInChI=1S/C17H10N4/c18-10-12(11-19)16-17(20-13-6-2-1-3-7-13)14-8-4-5-9-15(14)21-16/h1-9,21H/b20-17+
InChIKeyDCLSWBVHLRNZEV-LVZFUZTISA-N
MW270.30 g/mol
LogP3.53
Rot. Bonds1

About 2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile

2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile (PubChem CID 136797981) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile
PubChem CID136797981
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1Nc2ccccc2/C1=N\c1ccccc1
InChIInChI=1S/C17H10N4/c18-10-12(11-19)16-17(20-13-6-2-1-3-7-13)14-8-4-5-9-15(14)21-16/h1-9,21H/b20-17+
InChIKeyDCLSWBVHLRNZEV-LVZFUZTISA-N
XLogP3.53
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-iodophenyl)imino-1H-indol-2-one
CID 135411934
3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135516462
1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea
CID 135995901
(2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile
CID 6210968
2-(3-pyridin-1-ium-1-yl-1H-quinoxalin-2-ylidene)propanedinitrile
CID 25333827
3-[4-[4-[4-[(2-oxo-1H-indol-3-ylidene)amino]benzoyl]piperazine-1-carbonyl]phenyl]imino-1H-indol-2-one
CID 137144313
(2Z)-2-[5-methyl-3-(4-methylphenyl)imino-1H-indol-2-ylidene]-2-thiophen-2-ylacetonitrile
CID 135447778
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135502764
1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995905
carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel
CID 59475428
(2Z)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-3-phenylpropanenitrile
CID 6069069

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile?
The IUPAC name of 2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile (CID 136797981) is 2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile.
What is the SMILES notation for 2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile?
The canonical SMILES for 2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile is N#CC(C#N)=C1Nc2ccccc2/C1=N\c1ccccc1.
What is the InChIKey of 2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile?
The InChIKey is DCLSWBVHLRNZEV-LVZFUZTISA-N. The full InChI is InChI=1S/C17H10N4/c18-10-12(11-19)16-17(20-13-6-2-1-3-7-13)14-8-4-5-9-15(14)21-16/h1-9,21H/b20-17+.
What are the key properties of 2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile?
2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile has a molecular weight of 270.30 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile is sourced from PubChem (CID 136797981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).