(11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one

C14H23NO — CID 131735810

IUPAC(11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one
SMILESC/C1=C\CCCCC(=O)N2CCCCC2C1
InChIInChI=1S/C14H23NO/c1-12-7-3-2-4-9-14(16)15-10-6-5-8-13(15)11-12/h7,13H,2-6,8-11H2,1H3/b12-7+
InChIKeyOWWOPZGEFSYPFS-KPKJPENVSA-N
MW221.34 g/mol
LogP3.28
Rot. Bonds

About (11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one

(11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one (PubChem CID 131735810) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one.

Molecular Properties

Compound Name(11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one
PubChem CID131735810
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one
SMILESC/C1=C\CCCCC(=O)N2CCCCC2C1
InChIInChI=1S/C14H23NO/c1-12-7-3-2-4-9-14(16)15-10-6-5-8-13(15)11-12/h7,13H,2-6,8-11H2,1H3/b12-7+
InChIKeyOWWOPZGEFSYPFS-KPKJPENVSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.28
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 (11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one?
The IUPAC name of (11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one (CID 131735810) is (11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one.
What is the SMILES notation for (11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one?
The canonical SMILES for (11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one is C/C1=C\CCCCC(=O)N2CCCCC2C1.
What is the InChIKey of (11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one?
The InChIKey is OWWOPZGEFSYPFS-KPKJPENVSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-7-3-2-4-9-14(16)15-10-6-5-8-13(15)11-12/h7,13H,2-6,8-11H2,1H3/b12-7+.
What are the key properties of (11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one?
(11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one has a molecular weight of 221.34 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-12-methyl-1,2,3,4,7,8,9,10,13,13a-decahydropyrido[1,2-a]azecin-6-one is sourced from PubChem (CID 131735810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).