2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile

C10H15N — CID 20661409

IUPAC2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile
SMILESCC1C2CCC(C2)C1(C)C#N
InChIInChI=1S/C10H15N/c1-7-8-3-4-9(5-8)10(7,2)6-11/h7-9H,3-5H2,1-2H3
InChIKeyUKOFBFUBCOGNMB-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.58
Rot. Bonds

About 2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile

2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 20661409) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID20661409
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile
SMILESCC1C2CCC(C2)C1(C)C#N
InChIInChI=1S/C10H15N/c1-7-8-3-4-9(5-8)10(7,2)6-11/h7-9H,3-5H2,1-2H3
InChIKeyUKOFBFUBCOGNMB-UHFFFAOYSA-N
XLogP2.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.58
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
1,7,7-Trimethyl-bicyclo[2.2.1]heptane-2-carbonitrile
CID 18405550
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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of 2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile (CID 20661409) is 2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for 2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for 2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile is CC1C2CCC(C2)C1(C)C#N.
What is the InChIKey of 2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is UKOFBFUBCOGNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7-8-3-4-9(5-8)10(7,2)6-11/h7-9H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile?
2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile has a molecular weight of 149.24 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 20661409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).