bicyclo[3.3.1]nonane-9-carbonitrile

C10H15N — CID 84649346

IUPACbicyclo[3.3.1]nonane-9-carbonitrile
SMILESN#CC1C2CCCC1CCC2
InChIInChI=1S/C10H15N/c11-7-10-8-3-1-4-9(10)6-2-5-8/h8-10H,1-6H2
InChIKeyCLLLFHNPKYQPKU-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.73
Rot. Bonds

About bicyclo[3.3.1]nonane-9-carbonitrile

bicyclo[3.3.1]nonane-9-carbonitrile (PubChem CID 84649346) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is bicyclo[3.3.1]nonane-9-carbonitrile.

Molecular Properties

Compound Namebicyclo[3.3.1]nonane-9-carbonitrile
PubChem CID84649346
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Namebicyclo[3.3.1]nonane-9-carbonitrile
SMILESN#CC1C2CCCC1CCC2
InChIInChI=1S/C10H15N/c11-7-10-8-3-1-4-9(10)6-2-5-8/h8-10H,1-6H2
InChIKeyCLLLFHNPKYQPKU-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentane-1,2-dicarbonitrile
CID 19807606
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
cyclohexane-1,2,3,4-tetracarbonitrile
CID 87163155
1,2,3,3a,4,5,6,6a-octahydropentalene;phosphane
CID 174450452
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914
(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonitrile
CID 55300736
3-azatricyclo[3.3.1.03,7]nonane-9-carbonitrile
CID 22400447
(2R,3aS,6aR)-1-acetyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carbonitrile
CID 70445564
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927
cyclohexylcyclohexane;propa-1,2-diene
CID 175423188
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.3.1]nonane-9-carbonitrile?
The IUPAC name of bicyclo[3.3.1]nonane-9-carbonitrile (CID 84649346) is bicyclo[3.3.1]nonane-9-carbonitrile.
What is the SMILES notation for bicyclo[3.3.1]nonane-9-carbonitrile?
The canonical SMILES for bicyclo[3.3.1]nonane-9-carbonitrile is N#CC1C2CCCC1CCC2.
What is the InChIKey of bicyclo[3.3.1]nonane-9-carbonitrile?
The InChIKey is CLLLFHNPKYQPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c11-7-10-8-3-1-4-9(10)6-2-5-8/h8-10H,1-6H2.
What are the key properties of bicyclo[3.3.1]nonane-9-carbonitrile?
bicyclo[3.3.1]nonane-9-carbonitrile has a molecular weight of 149.24 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.3.1]nonane-9-carbonitrile is sourced from PubChem (CID 84649346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).