4-methyl-1-azabicyclo[3.2.2]non-4-ene

C9H15N — CID 123161508

IUPAC4-methyl-1-azabicyclo[3.2.2]non-4-ene
SMILESCC1=C2CCN(CC1)CC2
InChIInChI=1S/C9H15N/c1-8-2-5-10-6-3-9(8)4-7-10/h2-7H2,1H3
InChIKeyDFGBPMRBFHMZGE-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.80
Rot. Bonds

About 4-methyl-1-azabicyclo[3.2.2]non-4-ene

4-methyl-1-azabicyclo[3.2.2]non-4-ene (PubChem CID 123161508) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-methyl-1-azabicyclo[3.2.2]non-4-ene.

Molecular Properties

Compound Name4-methyl-1-azabicyclo[3.2.2]non-4-ene
PubChem CID123161508
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-methyl-1-azabicyclo[3.2.2]non-4-ene
SMILESCC1=C2CCN(CC1)CC2
InChIInChI=1S/C9H15N/c1-8-2-5-10-6-3-9(8)4-7-10/h2-7H2,1H3
InChIKeyDFGBPMRBFHMZGE-UHFFFAOYSA-N
XLogP1.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.80
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

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4-(1-Fluoroethylidene)-1-methylpiperidine
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4-Butan-2-ylidene-1-(2-fluoro-2-methylpropyl)piperidine
CID 169614755
3-Fluoro-1-methyl-4-propan-2-ylidenepiperidine
CID 169625533
1-Ethyl-4-(1-fluoroethylidene)piperidine
CID 173019159
3-Cyclopropylidene-1-methylpiperidine
CID 134843256
1-Fluoro-4-propan-2-ylidenepiperidine
CID 166075217
4-Ethylidene-1-methylpiperidine
CID 18713410
1-Methyl-4-propylidenepiperidine
CID 23544392
1-(4-Methylpent-3-en-1-yl)piperidine
CID 54192097
1-Ethyl-4-propylidenepiperidine
CID 57602811

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-azabicyclo[3.2.2]non-4-ene?
The IUPAC name of 4-methyl-1-azabicyclo[3.2.2]non-4-ene (CID 123161508) is 4-methyl-1-azabicyclo[3.2.2]non-4-ene.
What is the SMILES notation for 4-methyl-1-azabicyclo[3.2.2]non-4-ene?
The canonical SMILES for 4-methyl-1-azabicyclo[3.2.2]non-4-ene is CC1=C2CCN(CC1)CC2.
What is the InChIKey of 4-methyl-1-azabicyclo[3.2.2]non-4-ene?
The InChIKey is DFGBPMRBFHMZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-8-2-5-10-6-3-9(8)4-7-10/h2-7H2,1H3.
What are the key properties of 4-methyl-1-azabicyclo[3.2.2]non-4-ene?
4-methyl-1-azabicyclo[3.2.2]non-4-ene has a molecular weight of 137.23 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-azabicyclo[3.2.2]non-4-ene is sourced from PubChem (CID 123161508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).