4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile

C16H10N2 — CID 145125957

IUPAC4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile
SMILESC=c1ccc(-c2ccc(C#N)c(C#N)c2)cc1=C
InChIInChI=1S/C16H10N2/c1-11-3-4-13(7-12(11)2)14-5-6-15(9-17)16(8-14)10-18/h3-8H,1-2H2
InChIKeyBLQWBBKYQNQNRO-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.92
Rot. Bonds1

About 4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile

4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile (PubChem CID 145125957) has the molecular formula C16H10N2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile
PubChem CID145125957
Molecular FormulaC16H10N2
Molecular Weight230.27 g/mol
Exact Mass230.08
IUPAC Name4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile
SMILESC=c1ccc(-c2ccc(C#N)c(C#N)c2)cc1=C
InChIInChI=1S/C16H10N2/c1-11-3-4-13(7-12(11)2)14-5-6-15(9-17)16(8-14)10-18/h3-8H,1-2H2
InChIKeyBLQWBBKYQNQNRO-UHFFFAOYSA-N
XLogP1.92
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile (CID 145125957) is 4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile is C=c1ccc(-c2ccc(C#N)c(C#N)c2)cc1=C.
What is the InChIKey of 4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile?
The InChIKey is BLQWBBKYQNQNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2/c1-11-3-4-13(7-12(11)2)14-5-6-15(9-17)16(8-14)10-18/h3-8H,1-2H2.
What are the key properties of 4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile?
4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 145125957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).