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

C16H27NO2 — CID 144515547

IUPAC(7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
SMILESCOC1/C=C/CCCCC(=O)N(C)C/C(C)=C\CC1
InChIInChI=1S/C16H27NO2/c1-14-9-8-11-15(19-3)10-6-4-5-7-12-16(18)17(2)13-14/h6,9-10,15H,4-5,7-8,11-13H2,1-3H3/b10-6+,14-9-
InChIKeySCFMUGUAXZLHDI-QIXAWMBPSA-N
MW265.40 g/mol
LogP3.32
Rot. Bonds1

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

(7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one (PubChem CID 144515547) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one.

Molecular Properties

Compound Name(7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
PubChem CID144515547
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
SMILESCOC1/C=C/CCCCC(=O)N(C)C/C(C)=C\CC1
InChIInChI=1S/C16H27NO2/c1-14-9-8-11-15(19-3)10-6-4-5-7-12-16(18)17(2)13-14/h6,9-10,15H,4-5,7-8,11-13H2,1-3H3/b10-6+,14-9-
InChIKeySCFMUGUAXZLHDI-QIXAWMBPSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7E,12Z)-9-methoxy-1,13-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)-9-methoxy-10,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 58811364
(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 71236087
10-Hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 78044107
N,2-dimethyl-N-(7-propan-2-yloxyhept-5-enyl)propanamide
CID 124014014
(7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one
CID 142948489
(7E,11S,12Z)-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 142948494
(7E,9R,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one
CID 143159507
(7E,9R,11S,12Z)-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 144515515
N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide
CID 144515523
(6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one
CID 144515544
1-[(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl]ethanone
CID 144515554
1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone
CID 144515558

Frequently Asked Questions

What is the IUPAC name of (7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one?
The IUPAC name of (7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one (CID 144515547) is (7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one.
What is the SMILES notation for (7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one?
The canonical SMILES for (7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one is COC1/C=C/CCCCC(=O)N(C)C/C(C)=C\CC1.
What is the InChIKey of (7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one?
The InChIKey is SCFMUGUAXZLHDI-QIXAWMBPSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14-9-8-11-15(19-3)10-6-4-5-7-12-16(18)17(2)13-14/h6,9-10,15H,4-5,7-8,11-13H2,1-3H3/b10-6+,14-9-.
What are the key properties of (7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one?
(7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one is sourced from PubChem (CID 144515547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).