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

C13H10N2 — CID 46183786

IUPAC2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile
SMILESCC1Cc2ccccc2C1=C(C#N)C#N
InChIInChI=1S/C13H10N2/c1-9-6-10-4-2-3-5-12(10)13(9)11(7-14)8-15/h2-5,9H,6H2,1H3
InChIKeyOIFMSXCFHNIPHW-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.68
Rot. Bonds

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

2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile (PubChem CID 46183786) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile
PubChem CID46183786
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile
SMILESCC1Cc2ccccc2C1=C(C#N)C#N
InChIInChI=1S/C13H10N2/c1-9-6-10-4-2-3-5-12(10)13(9)11(7-14)8-15/h2-5,9H,6H2,1H3
InChIKeyOIFMSXCFHNIPHW-UHFFFAOYSA-N
XLogP2.68
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile?
The IUPAC name of 2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile (CID 46183786) is 2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile?
The canonical SMILES for 2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile is CC1Cc2ccccc2C1=C(C#N)C#N.
What is the InChIKey of 2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile?
The InChIKey is OIFMSXCFHNIPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-9-6-10-4-2-3-5-12(10)13(9)11(7-14)8-15/h2-5,9H,6H2,1H3.
What are the key properties of 2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile?
2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile has a molecular weight of 194.24 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile is sourced from PubChem (CID 46183786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).