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

C11H17N — CID 18405550

IUPAC1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile
SMILESCC1(C)C2CCC1(C)C(C#N)C2
InChIInChI=1S/C11H17N/c1-10(2)8-4-5-11(10,3)9(6-8)7-12/h8-9H,4-6H2,1-3H3
InChIKeyPAZKXECQWUCVBE-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.97
Rot. Bonds

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

1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 18405550) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID18405550
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile
SMILESCC1(C)C2CCC1(C)C(C#N)C2
InChIInChI=1S/C11H17N/c1-10(2)8-4-5-11(10,3)9(6-8)7-12/h8-9H,4-6H2,1-3H3
InChIKeyPAZKXECQWUCVBE-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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Related Compounds

Norbornane-2-carbonitrile
CID 102231
Propionitrile, 3-(3-cyano-2-norbornyl)-
CID 297749
2-{Bicyclo[2.2.1]heptan-2-yl}acetonitrile
CID 260932
Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl-
CID 113634
1,3-Dimethylbicyclo(2.2.1)heptane-2-carbonitrile
CID 121494105
(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonitrile
CID 11378477
(1R,2S,4S)-bicyclo[2.2.1]heptane-2-carbonitrile
CID 10964478
Norbornylacetonitrile
CID 21414577
(1S,2S,4R)-bicyclo[2.2.1]heptane-2-carbonitrile
CID 11126237
2-Methylbicyclo[2.2.1]heptane-2-carbonitrile
CID 12754145
2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile
CID 14589637
Bicyclo[2.2.1]heptane-2,5-dicarbonitrile
CID 15745024

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile (CID 18405550) is 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile is CC1(C)C2CCC1(C)C(C#N)C2.
What is the InChIKey of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is PAZKXECQWUCVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-10(2)8-4-5-11(10,3)9(6-8)7-12/h8-9H,4-6H2,1-3H3.
What are the key properties of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile?
1,7,7-trimethylbicyclo[2.2.1]heptane-2-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 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 18405550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).