2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile

C10H6N2 — CID 22556345

IUPAC2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile
SMILESC=c1ccc(=C(C#N)C#N)cc1
InChIInChI=1S/C10H6N2/c1-8-2-4-9(5-3-8)10(6-11)7-12/h2-5H,1H2
InChIKeyQMMIKUCFDULASO-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.29
Rot. Bonds

About 2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile

2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile (PubChem CID 22556345) has the molecular formula C10H6N2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile
PubChem CID22556345
Molecular FormulaC10H6N2
Molecular Weight154.17 g/mol
Exact Mass154.05
IUPAC Name2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile
SMILESC=c1ccc(=C(C#N)C#N)cc1
InChIInChI=1S/C10H6N2/c1-8-2-4-9(5-3-8)10(6-11)7-12/h2-5H,1H2
InChIKeyQMMIKUCFDULASO-UHFFFAOYSA-N
XLogP0.29
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile?
The IUPAC name of 2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile (CID 22556345) is 2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile.
What is the SMILES notation for 2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile?
The canonical SMILES for 2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile is C=c1ccc(=C(C#N)C#N)cc1.
What is the InChIKey of 2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile?
The InChIKey is QMMIKUCFDULASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2/c1-8-2-4-9(5-3-8)10(6-11)7-12/h2-5H,1H2.
What are the key properties of 2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile?
2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile has a molecular weight of 154.17 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile is sourced from PubChem (CID 22556345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).