(7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one

C16H27NO2 — CID 142948494

IUPAC(7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
SMILESCOC1/C=C/CCCCC(=O)NC/C(C)=C\[C@@H](C)C1
InChIInChI=1S/C16H27NO2/c1-13-10-14(2)12-17-16(18)9-7-5-4-6-8-15(11-13)19-3/h6,8,10,13,15H,4-5,7,9,11-12H2,1-3H3,(H,17,18)/b8-6+,14-10-/t13-,15?/m1/s1
InChIKeyHMOCDINEIZMGKJ-DTPQHRCLSA-N
MW265.40 g/mol
LogP3.22
Rot. Bonds1

About (7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one

(7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one (PubChem CID 142948494) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one.

Molecular Properties

Compound Name(7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
PubChem CID142948494
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
SMILESCOC1/C=C/CCCCC(=O)NC/C(C)=C\[C@@H](C)C1
InChIInChI=1S/C16H27NO2/c1-13-10-14(2)12-17-16(18)9-7-5-4-6-8-15(11-13)19-3/h6,8,10,13,15H,4-5,7,9,11-12H2,1-3H3,(H,17,18)/b8-6+,14-10-/t13-,15?/m1/s1
InChIKeyHMOCDINEIZMGKJ-DTPQHRCLSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 11300518
[(2S,3S,4E)-3-methyl-12-oxo-2-[(E)-pent-2-en-2-yl]-1-azacyclododec-4-en-6-yl] acetate
CID 58297728
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
(6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one
CID 71236094
(4Z,6R,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethyl-1-azacyclotetradeca-4,9-dien-2-one
CID 71236098
9-Hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one
CID 78044111
7-Hydroxy-8-methoxy-4,6-dimethyl-1-azacyclotetradeca-4,9-dien-2-one
CID 78044115
N-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienyl]hept-6-enamide
CID 87141522

Frequently Asked Questions

What is the IUPAC name of (7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one?
The IUPAC name of (7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one (CID 142948494) is (7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one.
What is the SMILES notation for (7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one?
The canonical SMILES for (7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one is COC1/C=C/CCCCC(=O)NC/C(C)=C\[C@@H](C)C1.
What is the InChIKey of (7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one?
The InChIKey is HMOCDINEIZMGKJ-DTPQHRCLSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13-10-14(2)12-17-16(18)9-7-5-4-6-8-15(11-13)19-3/h6,8,10,13,15H,4-5,7,9,11-12H2,1-3H3,(H,17,18)/b8-6+,14-10-/t13-,15?/m1/s1.
What are the key properties of (7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one?
(7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one is sourced from PubChem (CID 142948494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).