4-methyl-1-azabicyclo[3.3.1]non-3-ene

C9H15N — CID 137457223

IUPAC4-methyl-1-azabicyclo[3.3.1]non-3-ene
SMILESCC1=CCN2CCCC1C2
InChIInChI=1S/C9H15N/c1-8-4-6-10-5-2-3-9(8)7-10/h4,9H,2-3,5-7H2,1H3
InChIKeyRPCOIGPJHRPDPF-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.66
Rot. Bonds

About 4-methyl-1-azabicyclo[3.3.1]non-3-ene

4-methyl-1-azabicyclo[3.3.1]non-3-ene (PubChem CID 137457223) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-methyl-1-azabicyclo[3.3.1]non-3-ene.

Molecular Properties

Compound Name4-methyl-1-azabicyclo[3.3.1]non-3-ene
PubChem CID137457223
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-methyl-1-azabicyclo[3.3.1]non-3-ene
SMILESCC1=CCN2CCCC1C2
InChIInChI=1S/C9H15N/c1-8-4-6-10-5-2-3-9(8)7-10/h4,9H,2-3,5-7H2,1H3
InChIKeyRPCOIGPJHRPDPF-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-azabicyclo[3.3.1]non-3-ene?
The IUPAC name of 4-methyl-1-azabicyclo[3.3.1]non-3-ene (CID 137457223) is 4-methyl-1-azabicyclo[3.3.1]non-3-ene.
What is the SMILES notation for 4-methyl-1-azabicyclo[3.3.1]non-3-ene?
The canonical SMILES for 4-methyl-1-azabicyclo[3.3.1]non-3-ene is CC1=CCN2CCCC1C2.
What is the InChIKey of 4-methyl-1-azabicyclo[3.3.1]non-3-ene?
The InChIKey is RPCOIGPJHRPDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-8-4-6-10-5-2-3-9(8)7-10/h4,9H,2-3,5-7H2,1H3.
What are the key properties of 4-methyl-1-azabicyclo[3.3.1]non-3-ene?
4-methyl-1-azabicyclo[3.3.1]non-3-ene has a molecular weight of 137.23 g/mol, XLogP of 1.66, 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[3.3.1]non-3-ene is sourced from PubChem (CID 137457223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).