2-cyclohex-2-en-1-ylidenepropanedinitrile

C9H8N2 — CID 556620

IUPAC2-cyclohex-2-en-1-ylidenepropanedinitrile
SMILESN#CC(C#N)=C1C=CCCC1
InChIInChI=1S/C9H8N2/c10-6-9(7-11)8-4-2-1-3-5-8/h2,4H,1,3,5H2
InChIKeyANVBZKLVNCRLIB-UHFFFAOYSA-N
MW144.18 g/mol
LogP2.07
Rot. Bonds

About 2-cyclohex-2-en-1-ylidenepropanedinitrile

2-cyclohex-2-en-1-ylidenepropanedinitrile (PubChem CID 556620) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-ylidenepropanedinitrile.

Molecular Properties

Compound Name2-cyclohex-2-en-1-ylidenepropanedinitrile
PubChem CID556620
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2-cyclohex-2-en-1-ylidenepropanedinitrile
SMILESN#CC(C#N)=C1C=CCCC1
InChIInChI=1S/C9H8N2/c10-6-9(7-11)8-4-2-1-3-5-8/h2,4H,1,3,5H2
InChIKeyANVBZKLVNCRLIB-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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-ylidenepropanedinitrile?
The IUPAC name of 2-cyclohex-2-en-1-ylidenepropanedinitrile (CID 556620) is 2-cyclohex-2-en-1-ylidenepropanedinitrile.
What is the SMILES notation for 2-cyclohex-2-en-1-ylidenepropanedinitrile?
The canonical SMILES for 2-cyclohex-2-en-1-ylidenepropanedinitrile is N#CC(C#N)=C1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-ylidenepropanedinitrile?
The InChIKey is ANVBZKLVNCRLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c10-6-9(7-11)8-4-2-1-3-5-8/h2,4H,1,3,5H2.
What are the key properties of 2-cyclohex-2-en-1-ylidenepropanedinitrile?
2-cyclohex-2-en-1-ylidenepropanedinitrile 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-cyclohex-2-en-1-ylidenepropanedinitrile is sourced from PubChem (CID 556620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).