5-isocyano-1,3-dimethyl-2-methylidenecyclohexane

C10H15N — CID 90907652

IUPAC5-isocyano-1,3-dimethyl-2-methylidenecyclohexane
SMILES[C-]#[N+]C1CC(C)C(=C)C(C)C1
InChIInChI=1S/C10H15N/c1-7-5-10(11-4)6-8(2)9(7)3/h7-8,10H,3,5-6H2,1-2H3
InChIKeyFVGMCXKJDCZFPZ-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.90
Rot. Bonds

About 5-isocyano-1,3-dimethyl-2-methylidenecyclohexane

5-isocyano-1,3-dimethyl-2-methylidenecyclohexane (PubChem CID 90907652) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 5-isocyano-1,3-dimethyl-2-methylidenecyclohexane.

Molecular Properties

Compound Name5-isocyano-1,3-dimethyl-2-methylidenecyclohexane
PubChem CID90907652
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name5-isocyano-1,3-dimethyl-2-methylidenecyclohexane
SMILES[C-]#[N+]C1CC(C)C(=C)C(C)C1
InChIInChI=1S/C10H15N/c1-7-5-10(11-4)6-8(2)9(7)3/h7-8,10H,3,5-6H2,1-2H3
InChIKeyFVGMCXKJDCZFPZ-UHFFFAOYSA-N
XLogP2.90
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(Isocyanomethyl)-4-methylidenecyclohexane
CID 90804335
1-(Isocyanomethyl)-3-methylidenecyclohexane
CID 91204062
4-Isocyano-2-methyl-1-methylidenecyclohexane
CID 91354970
1-(4-Methylidenecyclohexyl)ethyl-methylidyneazanium
CID 123218456

Frequently Asked Questions

What is the IUPAC name of 5-isocyano-1,3-dimethyl-2-methylidenecyclohexane?
The IUPAC name of 5-isocyano-1,3-dimethyl-2-methylidenecyclohexane (CID 90907652) is 5-isocyano-1,3-dimethyl-2-methylidenecyclohexane.
What is the SMILES notation for 5-isocyano-1,3-dimethyl-2-methylidenecyclohexane?
The canonical SMILES for 5-isocyano-1,3-dimethyl-2-methylidenecyclohexane is [C-]#[N+]C1CC(C)C(=C)C(C)C1.
What is the InChIKey of 5-isocyano-1,3-dimethyl-2-methylidenecyclohexane?
The InChIKey is FVGMCXKJDCZFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7-5-10(11-4)6-8(2)9(7)3/h7-8,10H,3,5-6H2,1-2H3.
What are the key properties of 5-isocyano-1,3-dimethyl-2-methylidenecyclohexane?
5-isocyano-1,3-dimethyl-2-methylidenecyclohexane has a molecular weight of 149.24 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-1,3-dimethyl-2-methylidenecyclohexane is sourced from PubChem (CID 90907652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).