(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one

C14H23NO3 — CID 144515520

IUPAC(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
SMILESCOC1/C=C/CNC(=O)CCOC/C(C)=C\CC1
InChIInChI=1S/C14H23NO3/c1-12-5-3-6-13(17-2)7-4-9-15-14(16)8-10-18-11-12/h4-5,7,13H,3,6,8-11H2,1-2H3,(H,15,16)/b7-4+,12-5-
InChIKeyOVRSRKNXXPWNMF-MIVQSLJFSA-N
MW253.34 g/mol
LogP1.82
Rot. Bonds1

About (7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one

(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one (PubChem CID 144515520) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one.

Molecular Properties

Compound Name(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
PubChem CID144515520
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
SMILESCOC1/C=C/CNC(=O)CCOC/C(C)=C\CC1
InChIInChI=1S/C14H23NO3/c1-12-5-3-6-13(17-2)7-4-9-15-14(16)8-10-18-11-12/h4-5,7,13H,3,6,8-11H2,1-2H3,(H,15,16)/b7-4+,12-5-
InChIKeyOVRSRKNXXPWNMF-MIVQSLJFSA-N
XLogP1.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(7E,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one
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(7E,9R,12Z)-9-methoxy-13-methyl-1-azacyclotetradeca-7,12-dien-2-one
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(6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one
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(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515548
1-[(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl]ethanone
CID 144515554
(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one
CID 144515567
N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one?
The IUPAC name of (7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one (CID 144515520) is (7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one.
What is the SMILES notation for (7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one?
The canonical SMILES for (7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one is COC1/C=C/CNC(=O)CCOC/C(C)=C\CC1.
What is the InChIKey of (7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one?
The InChIKey is OVRSRKNXXPWNMF-MIVQSLJFSA-N. The full InChI is InChI=1S/C14H23NO3/c1-12-5-3-6-13(17-2)7-4-9-15-14(16)8-10-18-11-12/h4-5,7,13H,3,6,8-11H2,1-2H3,(H,15,16)/b7-4+,12-5-.
What are the key properties of (7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one?
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one has a molecular weight of 253.34 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one is sourced from PubChem (CID 144515520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).