1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile

C11H17N — CID 70100007

IUPAC1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile
SMILESCC1(C)CC2CCC1(C)C2C#N
InChIInChI=1S/C11H17N/c1-10(2)6-8-4-5-11(10,3)9(8)7-12/h8-9H,4-6H2,1-3H3
InChIKeyOTCUPLGIBXCGJV-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.97
Rot. Bonds

About 1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile

1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile (PubChem CID 70100007) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile.

Molecular Properties

Compound Name1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile
PubChem CID70100007
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile
SMILESCC1(C)CC2CCC1(C)C2C#N
InChIInChI=1S/C11H17N/c1-10(2)6-8-4-5-11(10,3)9(8)7-12/h8-9H,4-6H2,1-3H3
InChIKeyOTCUPLGIBXCGJV-UHFFFAOYSA-N
XLogP2.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile?
The IUPAC name of 1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile (CID 70100007) is 1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile.
What is the SMILES notation for 1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile?
The canonical SMILES for 1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile is CC1(C)CC2CCC1(C)C2C#N.
What is the InChIKey of 1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile?
The InChIKey is OTCUPLGIBXCGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-10(2)6-8-4-5-11(10,3)9(8)7-12/h8-9H,4-6H2,1-3H3.
What are the key properties of 1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile?
1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile has a molecular weight of 163.26 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile is sourced from PubChem (CID 70100007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).