8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile

C9H12N2 — CID 15482079

IUPAC8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile
SMILESCN1C2CC=C(C#N)C1CC2
InChIInChI=1S/C9H12N2/c1-11-8-3-2-7(6-10)9(11)5-4-8/h2,8-9H,3-5H2,1H3
InChIKeyKKFJHWJQYWUDPP-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.30
Rot. Bonds

About 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile

8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile (PubChem CID 15482079) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile.

Molecular Properties

Compound Name8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile
PubChem CID15482079
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile
SMILESCN1C2CC=C(C#N)C1CC2
InChIInChI=1S/C9H12N2/c1-11-8-3-2-7(6-10)9(11)5-4-8/h2,8-9H,3-5H2,1H3
InChIKeyKKFJHWJQYWUDPP-UHFFFAOYSA-N
XLogP1.30
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile?
The IUPAC name of 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile (CID 15482079) is 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile.
What is the SMILES notation for 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile?
The canonical SMILES for 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile is CN1C2CC=C(C#N)C1CC2.
What is the InChIKey of 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile?
The InChIKey is KKFJHWJQYWUDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-11-8-3-2-7(6-10)9(11)5-4-8/h2,8-9H,3-5H2,1H3.
What are the key properties of 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile?
8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile has a molecular weight of 148.21 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile is sourced from PubChem (CID 15482079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).