3-methylidenecycloheptane-1,1-dicarbonitrile

C10H12N2 — CID 15439093

IUPAC3-methylidenecycloheptane-1,1-dicarbonitrile
SMILESC=C1CCCCC(C#N)(C#N)C1
InChIInChI=1S/C10H12N2/c1-9-4-2-3-5-10(6-9,7-11)8-12/h1-6H2
InChIKeyXRYNDYQTZPVJQC-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.54
Rot. Bonds

About 3-methylidenecycloheptane-1,1-dicarbonitrile

3-methylidenecycloheptane-1,1-dicarbonitrile (PubChem CID 15439093) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-methylidenecycloheptane-1,1-dicarbonitrile.

Molecular Properties

Compound Name3-methylidenecycloheptane-1,1-dicarbonitrile
PubChem CID15439093
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-methylidenecycloheptane-1,1-dicarbonitrile
SMILESC=C1CCCCC(C#N)(C#N)C1
InChIInChI=1S/C10H12N2/c1-9-4-2-3-5-10(6-9,7-11)8-12/h1-6H2
InChIKeyXRYNDYQTZPVJQC-UHFFFAOYSA-N
XLogP2.54
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-methylidene-1,4-dioxaspiro[4.8]tridecane
CID 10750402
2-(1-methyl-3-methylidenecyclohexyl)acetonitrile
CID 10796911
1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile
CID 10042546
1,1-dimethyl-3-methylidenecyclohexane;ethane
CID 91238646
1-cyclopentylidene-5-methylidenecyclononane
CID 162212680
3-methylidene-1-(trifluoromethyl)cyclobutane-1-carbonitrile
CID 67145392
1-methyl-3-methylidenecyclohexan-1-ol
CID 23345654
17-methylidenespiro[2.14]heptadecane
CID 166443518
4-oxocyclohexane-1,1-dicarbonitrile
CID 57429298
1-(5-methylidene-3-oxa-7-thia-4-azabicyclo[4.1.0]heptan-4-yl)cyclohexane-1-carbonitrile
CID 89230811
methyl 5,5-dicyano-3-methylidene-1-(4-methylphenyl)cycloheptane-1-carboxylate
CID 102172877
1-fluoro-5-methylidenecyclononane
CID 167066171

Frequently Asked Questions

What is the IUPAC name of 3-methylidenecycloheptane-1,1-dicarbonitrile?
The IUPAC name of 3-methylidenecycloheptane-1,1-dicarbonitrile (CID 15439093) is 3-methylidenecycloheptane-1,1-dicarbonitrile.
What is the SMILES notation for 3-methylidenecycloheptane-1,1-dicarbonitrile?
The canonical SMILES for 3-methylidenecycloheptane-1,1-dicarbonitrile is C=C1CCCCC(C#N)(C#N)C1.
What is the InChIKey of 3-methylidenecycloheptane-1,1-dicarbonitrile?
The InChIKey is XRYNDYQTZPVJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-9-4-2-3-5-10(6-9,7-11)8-12/h1-6H2.
What are the key properties of 3-methylidenecycloheptane-1,1-dicarbonitrile?
3-methylidenecycloheptane-1,1-dicarbonitrile has a molecular weight of 160.22 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenecycloheptane-1,1-dicarbonitrile is sourced from PubChem (CID 15439093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).