1-azabicyclo[4.3.1]dec-3-en-10-one

C9H13NO — CID 122232704

IUPAC1-azabicyclo[4.3.1]dec-3-en-10-one
SMILESO=C1C2CC=CCN1CCC2
InChIInChI=1S/C9H13NO/c11-9-8-4-1-2-6-10(9)7-3-5-8/h1-2,8H,3-7H2
InChIKeyUSYVAGTWVKWSEX-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.18
Rot. Bonds

About 1-azabicyclo[4.3.1]dec-3-en-10-one

1-azabicyclo[4.3.1]dec-3-en-10-one (PubChem CID 122232704) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-azabicyclo[4.3.1]dec-3-en-10-one.

Molecular Properties

Compound Name1-azabicyclo[4.3.1]dec-3-en-10-one
PubChem CID122232704
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-azabicyclo[4.3.1]dec-3-en-10-one
SMILESO=C1C2CC=CCN1CCC2
InChIInChI=1S/C9H13NO/c11-9-8-4-1-2-6-10(9)7-3-5-8/h1-2,8H,3-7H2
InChIKeyUSYVAGTWVKWSEX-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.18
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 1-azabicyclo[4.3.1]dec-3-en-10-one?
The IUPAC name of 1-azabicyclo[4.3.1]dec-3-en-10-one (CID 122232704) is 1-azabicyclo[4.3.1]dec-3-en-10-one.
What is the SMILES notation for 1-azabicyclo[4.3.1]dec-3-en-10-one?
The canonical SMILES for 1-azabicyclo[4.3.1]dec-3-en-10-one is O=C1C2CC=CCN1CCC2.
What is the InChIKey of 1-azabicyclo[4.3.1]dec-3-en-10-one?
The InChIKey is USYVAGTWVKWSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-9-8-4-1-2-6-10(9)7-3-5-8/h1-2,8H,3-7H2.
What are the key properties of 1-azabicyclo[4.3.1]dec-3-en-10-one?
1-azabicyclo[4.3.1]dec-3-en-10-one has a molecular weight of 151.21 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[4.3.1]dec-3-en-10-one is sourced from PubChem (CID 122232704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).