1-azacyclododecen-6-one

C11H19NO — CID 155759286

IUPAC1-azacyclododecen-6-one
SMILESO=C1CCC/C=N/CCCCCC1
InChIInChI=1S/C11H19NO/c13-11-7-3-1-2-5-9-12-10-6-4-8-11/h10H,1-9H2/b12-10+
InChIKeyKCERAQHIXQBVJH-ZRDIBKRKSA-N
MW181.28 g/mol
LogP2.76
Rot. Bonds

About 1-azacyclododecen-6-one

1-azacyclododecen-6-one (PubChem CID 155759286) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-azacyclododecen-6-one.

Molecular Properties

Compound Name1-azacyclododecen-6-one
PubChem CID155759286
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-azacyclododecen-6-one
SMILESO=C1CCC/C=N/CCCCCC1
InChIInChI=1S/C11H19NO/c13-11-7-3-1-2-5-9-12-10-6-4-8-11/h10H,1-9H2/b12-10+
InChIKeyKCERAQHIXQBVJH-ZRDIBKRKSA-N
XLogP2.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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CID 162230812

Frequently Asked Questions

What is the IUPAC name of 1-azacyclododecen-6-one?
The IUPAC name of 1-azacyclododecen-6-one (CID 155759286) is 1-azacyclododecen-6-one.
What is the SMILES notation for 1-azacyclododecen-6-one?
The canonical SMILES for 1-azacyclododecen-6-one is O=C1CCC/C=N/CCCCCC1.
What is the InChIKey of 1-azacyclododecen-6-one?
The InChIKey is KCERAQHIXQBVJH-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H19NO/c13-11-7-3-1-2-5-9-12-10-6-4-8-11/h10H,1-9H2/b12-10+.
What are the key properties of 1-azacyclododecen-6-one?
1-azacyclododecen-6-one has a molecular weight of 181.28 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azacyclododecen-6-one is sourced from PubChem (CID 155759286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).