5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane

C10H15N — CID 88900049

IUPAC5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane
SMILES[C-]#[N+]C1CC2CC1CC2(C)C
InChIInChI=1S/C10H15N/c1-10(2)6-7-4-8(10)5-9(7)11-3/h7-9H,4-6H2,1-2H3
InChIKeyWZFSFEZXPZLRGB-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.73
Rot. Bonds

About 5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane

5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane (PubChem CID 88900049) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane
PubChem CID88900049
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane
SMILES[C-]#[N+]C1CC2CC1CC2(C)C
InChIInChI=1S/C10H15N/c1-10(2)6-7-4-8(10)5-9(7)11-3/h7-9H,4-6H2,1-2H3
InChIKeyWZFSFEZXPZLRGB-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane (CID 88900049) is 5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane is [C-]#[N+]C1CC2CC1CC2(C)C.
What is the InChIKey of 5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane?
The InChIKey is WZFSFEZXPZLRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-10(2)6-7-4-8(10)5-9(7)11-3/h7-9H,4-6H2,1-2H3.
What are the key properties of 5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane?
5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane has a molecular weight of 149.24 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 88900049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).