2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile

C9H8N2 — CID 3564602

IUPAC2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)CC1
InChIInChI=1S/C9H8N2/c1-7-2-3-8(4-7)9(5-10)6-11/h4H,2-3H2,1H3
InChIKeyMKVLMTOSLROXPP-UHFFFAOYSA-N
MW144.18 g/mol
LogP2.07
Rot. Bonds

About 2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile

2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile (PubChem CID 3564602) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile
PubChem CID3564602
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)CC1
InChIInChI=1S/C9H8N2/c1-7-2-3-8(4-7)9(5-10)6-11/h4H,2-3H2,1H3
InChIKeyMKVLMTOSLROXPP-UHFFFAOYSA-N
XLogP2.07
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 52.07
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

2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane
CID 616047
3-(Cyclopent-1-en-1-yl)prop-2-enenitrile
CID 135001707
4-Methyl-cyclopenta-1,3-dienecarbonitrile
CID 15566433
2-Cyclohexenylidenemalononitrile
CID 556620
2,6-Dimethylhepta-1,5-diene-1,1-dicarbonitrile
CID 318245
(2Z)-2-ethylidenehexanenitrile
CID 20402427
Propanedinitrile, hexylidene-
CID 11423679
2-(3-Methylcyclohex-2-en-1-ylidene) malononitrile
CID 12311690
Pentylidenepropanedinitrile
CID 15486539
Heptylidenepropanedinitrile
CID 16094988
2-Cyclopent-2-en-1-ylidenepropanedinitrile
CID 85878146
Dicyano-octadiene
CID 134686838

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile?
The IUPAC name of 2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile (CID 3564602) is 2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile.
What is the SMILES notation for 2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile?
The canonical SMILES for 2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile is CC1=CC(=C(C#N)C#N)CC1.
What is the InChIKey of 2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile?
The InChIKey is MKVLMTOSLROXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-7-2-3-8(4-7)9(5-10)6-11/h4H,2-3H2,1H3.
What are the key properties of 2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile?
2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile has a molecular weight of 144.18 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclopent-2-en-1-ylidene)propanedinitrile is sourced from PubChem (CID 3564602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).