(6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one

C14H23NO2 — CID 144515544

IUPAC(6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one
SMILESCOC1/C=C/CCCC(=O)NC/C(C)=C\CC1
InChIInChI=1S/C14H23NO2/c1-12-7-6-9-13(17-2)8-4-3-5-10-14(16)15-11-12/h4,7-8,13H,3,5-6,9-11H2,1-2H3,(H,15,16)/b8-4+,12-7-
InChIKeyKWVLGMKLWBZERV-LLZLKJDISA-N
MW237.34 g/mol
LogP2.58
Rot. Bonds1

About (6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one

(6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one (PubChem CID 144515544) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one.

Molecular Properties

Compound Name(6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one
PubChem CID144515544
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one
SMILESCOC1/C=C/CCCC(=O)NC/C(C)=C\CC1
InChIInChI=1S/C14H23NO2/c1-12-7-6-9-13(17-2)8-4-3-5-10-14(16)15-11-12/h4,7-8,13H,3,5-6,9-11H2,1-2H3,(H,15,16)/b8-4+,12-7-
InChIKeyKWVLGMKLWBZERV-LLZLKJDISA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.58
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

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(6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one
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CID 134460264
ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide
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(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide
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(7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one
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Frequently Asked Questions

What is the IUPAC name of (6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one?
The IUPAC name of (6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one (CID 144515544) is (6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one.
What is the SMILES notation for (6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one?
The canonical SMILES for (6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one is COC1/C=C/CCCC(=O)NC/C(C)=C\CC1.
What is the InChIKey of (6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one?
The InChIKey is KWVLGMKLWBZERV-LLZLKJDISA-N. The full InChI is InChI=1S/C14H23NO2/c1-12-7-6-9-13(17-2)8-4-3-5-10-14(16)15-11-12/h4,7-8,13H,3,5-6,9-11H2,1-2H3,(H,15,16)/b8-4+,12-7-.
What are the key properties of (6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one?
(6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one has a molecular weight of 237.34 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one is sourced from PubChem (CID 144515544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).