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

C9H13ClN2 — CID 45261308

IUPAC8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile;hydrochloride
SMILESCN1C2CC=C(C#N)C1CC2.Cl
InChIInChI=1S/C9H12N2.ClH/c1-11-8-3-2-7(6-10)9(11)5-4-8;/h2,8-9H,3-5H2,1H3;1H
InChIKeyYULVIAHBFXUAEN-UHFFFAOYSA-N
MW184.67 g/mol
LogP1.72
Rot. Bonds

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

8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile;hydrochloride (PubChem CID 45261308) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile;hydrochloride
PubChem CID45261308
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile;hydrochloride
SMILESCN1C2CC=C(C#N)C1CC2.Cl
InChIInChI=1S/C9H12N2.ClH/c1-11-8-3-2-7(6-10)9(11)5-4-8;/h2,8-9H,3-5H2,1H3;1H
InChIKeyYULVIAHBFXUAEN-UHFFFAOYSA-N
XLogP1.72
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 51.72
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;hydrochloride?
The IUPAC name of 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile;hydrochloride (CID 45261308) is 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile;hydrochloride.
What is the SMILES notation for 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile;hydrochloride?
The canonical SMILES for 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile;hydrochloride is CN1C2CC=C(C#N)C1CC2.Cl.
What is the InChIKey of 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile;hydrochloride?
The InChIKey is YULVIAHBFXUAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.ClH/c1-11-8-3-2-7(6-10)9(11)5-4-8;/h2,8-9H,3-5H2,1H3;1H.
What are the key properties of 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile;hydrochloride?
8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbonitrile;hydrochloride has a molecular weight of 184.67 g/mol, XLogP of 1.72, 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;hydrochloride is sourced from PubChem (CID 45261308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).