(7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one

C15H25NO2 — CID 142948489

IUPAC(7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one
SMILESCOC1/C=C/CCCCC(=O)NC/C(C)=C\CC1
InChIInChI=1S/C15H25NO2/c1-13-8-7-10-14(18-2)9-5-3-4-6-11-15(17)16-12-13/h5,8-9,14H,3-4,6-7,10-12H2,1-2H3,(H,16,17)/b9-5+,13-8-
InChIKeyDOMGGQCYNSXAQL-VONIIWBQSA-N
MW251.37 g/mol
LogP2.97
Rot. Bonds1

About (7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one

(7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one (PubChem CID 142948489) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one.

Molecular Properties

Compound Name(7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one
PubChem CID142948489
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one
SMILESCOC1/C=C/CCCCC(=O)NC/C(C)=C\CC1
InChIInChI=1S/C15H25NO2/c1-13-8-7-10-14(18-2)9-5-3-4-6-11-15(17)16-12-13/h5,8-9,14H,3-4,6-7,10-12H2,1-2H3,(H,16,17)/b9-5+,13-8-
InChIKeyDOMGGQCYNSXAQL-VONIIWBQSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 11300518
2-methyl-N-[(E)-6-oxo-9-propan-2-yloxynon-7-enyl]prop-2-enamide
CID 58451747
(7E,9S,10S,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 58516352
(7E,9S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 58811357
(7E,9S,10S,11R,12Z)-9-methoxy-10,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 58811364
(7E,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 67992691
(3Z,5E)-5-ethoxy-7-methylidene-1,2,8,9-tetrahydroazecin-10-one
CID 89591584
(E)-N-[(E)-4-methoxybut-2-enyl]non-6-enamide
CID 89820634
(9S,10S,11R)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 91216298
(9S,11R)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 91324747
(9S,10S)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 123665512
2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide
CID 129042821

Frequently Asked Questions

What is the IUPAC name of (7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one?
The IUPAC name of (7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one (CID 142948489) is (7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one.
What is the SMILES notation for (7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one?
The canonical SMILES for (7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one is COC1/C=C/CCCCC(=O)NC/C(C)=C\CC1.
What is the InChIKey of (7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one?
The InChIKey is DOMGGQCYNSXAQL-VONIIWBQSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13-8-7-10-14(18-2)9-5-3-4-6-11-15(17)16-12-13/h5,8-9,14H,3-4,6-7,10-12H2,1-2H3,(H,16,17)/b9-5+,13-8-.
What are the key properties of (7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one?
(7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one is sourced from PubChem (CID 142948489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).