2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile

C13H12N2 — CID 145473238

IUPAC2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile
SMILESC=CC1=C(C=C)C(=C(C#N)C#N)C(C)C1
InChIInChI=1S/C13H12N2/c1-4-10-6-9(3)13(12(10)5-2)11(7-14)8-15/h4-5,9H,1-2,6H2,3H3
InChIKeyBUKPMTVOJKDPEN-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.04
Rot. Bonds2

About 2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile

2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile (PubChem CID 145473238) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile
PubChem CID145473238
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile
SMILESC=CC1=C(C=C)C(=C(C#N)C#N)C(C)C1
InChIInChI=1S/C13H12N2/c1-4-10-6-9(3)13(12(10)5-2)11(7-14)8-15/h4-5,9H,1-2,6H2,3H3
InChIKeyBUKPMTVOJKDPEN-UHFFFAOYSA-N
XLogP3.04
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile?
The IUPAC name of 2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile (CID 145473238) is 2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile is C=CC1=C(C=C)C(=C(C#N)C#N)C(C)C1.
What is the InChIKey of 2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile?
The InChIKey is BUKPMTVOJKDPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-4-10-6-9(3)13(12(10)5-2)11(7-14)8-15/h4-5,9H,1-2,6H2,3H3.
What are the key properties of 2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile?
2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile has a molecular weight of 196.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(ethenyl)-5-methylcyclopent-2-en-1-ylidene]propanedinitrile is sourced from PubChem (CID 145473238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).