1-azabicyclo[5.5.0]dodecan-2-one

C11H19NO — CID 11063030

IUPAC1-azabicyclo[5.5.0]dodecan-2-one
SMILESO=C1CCCCC2CCCCCN12
InChIInChI=1S/C11H19NO/c13-11-8-4-3-7-10-6-2-1-5-9-12(10)11/h10H,1-9H2
InChIKeyDAMYZNRQQQDJGD-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.33
Rot. Bonds

About 1-azabicyclo[5.5.0]dodecan-2-one

1-azabicyclo[5.5.0]dodecan-2-one (PubChem CID 11063030) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-azabicyclo[5.5.0]dodecan-2-one.

Molecular Properties

Compound Name1-azabicyclo[5.5.0]dodecan-2-one
PubChem CID11063030
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-azabicyclo[5.5.0]dodecan-2-one
SMILESO=C1CCCCC2CCCCCN12
InChIInChI=1S/C11H19NO/c13-11-8-4-3-7-10-6-2-1-5-9-12(10)11/h10H,1-9H2
InChIKeyDAMYZNRQQQDJGD-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[5.5.0]dodecan-2-one?
The IUPAC name of 1-azabicyclo[5.5.0]dodecan-2-one (CID 11063030) is 1-azabicyclo[5.5.0]dodecan-2-one.
What is the SMILES notation for 1-azabicyclo[5.5.0]dodecan-2-one?
The canonical SMILES for 1-azabicyclo[5.5.0]dodecan-2-one is O=C1CCCCC2CCCCCN12.
What is the InChIKey of 1-azabicyclo[5.5.0]dodecan-2-one?
The InChIKey is DAMYZNRQQQDJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-11-8-4-3-7-10-6-2-1-5-9-12(10)11/h10H,1-9H2.
What are the key properties of 1-azabicyclo[5.5.0]dodecan-2-one?
1-azabicyclo[5.5.0]dodecan-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[5.5.0]dodecan-2-one is sourced from PubChem (CID 11063030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).