2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile

C9H11N — CID 13483399

IUPAC2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile
SMILESCC1(C#N)CC2C=CC1C2
InChIInChI=1S/C9H11N/c1-9(6-10)5-7-2-3-8(9)4-7/h2-3,7-8H,4-5H2,1H3
InChIKeyYLSRLICOTNISRM-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.11
Rot. Bonds

About 2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile

2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile (PubChem CID 13483399) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile.

Molecular Properties

Compound Name2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile
PubChem CID13483399
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile
SMILESCC1(C#N)CC2C=CC1C2
InChIInChI=1S/C9H11N/c1-9(6-10)5-7-2-3-8(9)4-7/h2-3,7-8H,4-5H2,1H3
InChIKeyYLSRLICOTNISRM-UHFFFAOYSA-N
XLogP2.11
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bicyclo(2.2.1)hept-5-ene-2-carbonitrile
CID 7218
Bicyclo(2.2.1)hept-5-ene-2,2,3,3-tetracarbonitrile
CID 138735
5-Norbornene-2,3-diacetonitrile
CID 548683
5-Norbornene-2-propionitrile, 3-cyano-
CID 3045979
(1S,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 10909557
(2r)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 240305
endo-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 12252457
5,5-Dimethylbicyclo[2.2.1]hept-2-ene
CID 12306911
Bicyclo(2.2.1)hept-2-ene, 7,7-dimethyl-
CID 12306867
(1S,4R)-7,7-dimethylbicyclo[2.2.1]hept-2-ene
CID 123290112
(2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 253307
exo-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 12252458

Frequently Asked Questions

What is the IUPAC name of 2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile?
The IUPAC name of 2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile (CID 13483399) is 2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile.
What is the SMILES notation for 2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile?
The canonical SMILES for 2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile is CC1(C#N)CC2C=CC1C2.
What is the InChIKey of 2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile?
The InChIKey is YLSRLICOTNISRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-9(6-10)5-7-2-3-8(9)4-7/h2-3,7-8H,4-5H2,1H3.
What are the key properties of 2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile?
2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile has a molecular weight of 133.19 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile is sourced from PubChem (CID 13483399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).