(5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one

C12H19NO — CID 11041628

IUPAC(5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one
SMILESC/C=C1\CCCN2CC(CCC2=O)C1
InChIInChI=1S/C12H19NO/c1-2-10-4-3-7-13-9-11(8-10)5-6-12(13)14/h2,11H,3-9H2,1H3/b10-2+
InChIKeyKZXUFKYTJYODMZ-WTDSWWLTSA-N
MW193.29 g/mol
LogP2.36
Rot. Bonds

About (5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one

(5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one (PubChem CID 11041628) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one.

Molecular Properties

Compound Name(5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one
PubChem CID11041628
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one
SMILESC/C=C1\CCCN2CC(CCC2=O)C1
InChIInChI=1S/C12H19NO/c1-2-10-4-3-7-13-9-11(8-10)5-6-12(13)14/h2,11H,3-9H2,1H3/b10-2+
InChIKeyKZXUFKYTJYODMZ-WTDSWWLTSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.36
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 (5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one?
The IUPAC name of (5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one (CID 11041628) is (5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one.
What is the SMILES notation for (5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one?
The canonical SMILES for (5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one is C/C=C1\CCCN2CC(CCC2=O)C1.
What is the InChIKey of (5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one?
The InChIKey is KZXUFKYTJYODMZ-WTDSWWLTSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-10-4-3-7-13-9-11(8-10)5-6-12(13)14/h2,11H,3-9H2,1H3/b10-2+.
What are the key properties of (5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one?
(5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one has a molecular weight of 193.29 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-1-azabicyclo[5.3.1]undecan-10-one is sourced from PubChem (CID 11041628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).