2-(1,3-dihydroinden-2-ylidene)propanedinitrile

C12H8N2 — CID 17278

IUPAC2-(1,3-dihydroinden-2-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1Cc2ccccc2C1
InChIInChI=1S/C12H8N2/c13-7-12(8-14)11-5-9-3-1-2-4-10(9)6-11/h1-4H,5-6H2
InChIKeyDNONJLXXOZWTCK-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.13
Rot. Bonds

About 2-(1,3-dihydroinden-2-ylidene)propanedinitrile

2-(1,3-dihydroinden-2-ylidene)propanedinitrile (PubChem CID 17278) has the molecular formula C12H8N2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(1,3-dihydroinden-2-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1,3-dihydroinden-2-ylidene)propanedinitrile
PubChem CID17278
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Name2-(1,3-dihydroinden-2-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1Cc2ccccc2C1
InChIInChI=1S/C12H8N2/c13-7-12(8-14)11-5-9-3-1-2-4-10(9)6-11/h1-4H,5-6H2
InChIKeyDNONJLXXOZWTCK-UHFFFAOYSA-N
XLogP2.13
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Indane
CID 10326
Phthalonitrile
CID 7042
2-Methylbenzonitrile
CID 10721
Malononitrile, benzylidene-
CID 17608
(1,1'-Biphenyl)-2-carbonitrile
CID 141162
2-(o-Tolyl)acetonitrile
CID 31155
Propanedinitrile, 2-(1-phenylethylidene)-
CID 79530
o-Phenylenediacetonitrile
CID 69180
2-Cyanobenzeneacetonitrile
CID 77368
2,3-Dimethylbenzonitrile
CID 79802
2-Phenethylbenzonitrile
CID 264964
9H-Fluorene-9,9-dipropanenitrile
CID 20478

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroinden-2-ylidene)propanedinitrile?
The IUPAC name of 2-(1,3-dihydroinden-2-ylidene)propanedinitrile (CID 17278) is 2-(1,3-dihydroinden-2-ylidene)propanedinitrile.
What is the SMILES notation for 2-(1,3-dihydroinden-2-ylidene)propanedinitrile?
The canonical SMILES for 2-(1,3-dihydroinden-2-ylidene)propanedinitrile is N#CC(C#N)=C1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroinden-2-ylidene)propanedinitrile?
The InChIKey is DNONJLXXOZWTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2/c13-7-12(8-14)11-5-9-3-1-2-4-10(9)6-11/h1-4H,5-6H2.
What are the key properties of 2-(1,3-dihydroinden-2-ylidene)propanedinitrile?
2-(1,3-dihydroinden-2-ylidene)propanedinitrile has a molecular weight of 180.21 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroinden-2-ylidene)propanedinitrile is sourced from PubChem (CID 17278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).