(5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one

C15H25NO3 — CID 144515533

IUPAC(5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one
SMILESCOC1/C=C/CCCOC(=O)NC/C(C)=C\C(C)C1
InChIInChI=1S/C15H25NO3/c1-12-9-13(2)11-16-15(17)19-8-6-4-5-7-14(10-12)18-3/h5,7,9,12,14H,4,6,8,10-11H2,1-3H3,(H,16,17)/b7-5+,13-9-
InChIKeyBHTMCEPPDSWEDV-HUZLQASOSA-N
MW267.37 g/mol
LogP3.05
Rot. Bonds1

About (5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one

(5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one (PubChem CID 144515533) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one.

Molecular Properties

Compound Name(5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one
PubChem CID144515533
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one
SMILESCOC1/C=C/CCCOC(=O)NC/C(C)=C\C(C)C1
InChIInChI=1S/C15H25NO3/c1-12-9-13(2)11-16-15(17)19-8-6-4-5-7-14(10-12)18-3/h5,7,9,12,14H,4,6,8,10-11H2,1-3H3,(H,16,17)/b7-5+,13-9-
InChIKeyBHTMCEPPDSWEDV-HUZLQASOSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one with MolForge

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Related Compounds

(7E,12Z)-9-methoxy-13-methyl-1-oxa-3-azacyclotetradeca-7,12-dien-2-one
CID 144515513
(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one
CID 144515567
(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol
CID 90960920
[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate
CID 121257118
(11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione
CID 24973617
12,12-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol
CID 78044101
(3Z,6Z,12S,14R)-14-(hydroxymethyl)-12-methoxy-4,7-dimethyl-1-oxacyclotetradeca-3,6,10-trien-2-one
CID 139585071
(4E,6S,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
CID 45100507
(4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine
CID 144515512
methane;(3E,7E,9S,10S,11R,12Z)-9-methoxy-10-(methoxymethoxy)-11,13-dimethyl-1-oxacyclotetradeca-3,7,12-trien-2-one
CID 157324275
14-methyl-1-oxacyclopentadec-12-en-2-one
CID 174998559
(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol
CID 90873235

Frequently Asked Questions

What is the IUPAC name of (5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one?
The IUPAC name of (5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one (CID 144515533) is (5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one.
What is the SMILES notation for (5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one?
The canonical SMILES for (5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one is COC1/C=C/CCCOC(=O)NC/C(C)=C\C(C)C1.
What is the InChIKey of (5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one?
The InChIKey is BHTMCEPPDSWEDV-HUZLQASOSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12-9-13(2)11-16-15(17)19-8-6-4-5-7-14(10-12)18-3/h5,7,9,12,14H,4,6,8,10-11H2,1-3H3,(H,16,17)/b7-5+,13-9-.
What are the key properties of (5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one?
(5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one has a molecular weight of 267.37 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,10E)-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one is sourced from PubChem (CID 144515533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).