10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one

C15H25NO4 — CID 78044118

IUPAC10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
SMILESCOC1C=CCNC(=O)CCOCC(C)=CC(C)C1O
InChIInChI=1S/C15H25NO4/c1-11-9-12(2)15(18)13(19-3)5-4-7-16-14(17)6-8-20-10-11/h4-5,9,12-13,15,18H,6-8,10H2,1-3H3,(H,16,17)
InChIKeyKPPGRGGMWJLOQU-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.04
Rot. Bonds1

About 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one

10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one (PubChem CID 78044118) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one.

Molecular Properties

Compound Name10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
PubChem CID78044118
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
SMILESCOC1C=CCNC(=O)CCOCC(C)=CC(C)C1O
InChIInChI=1S/C15H25NO4/c1-11-9-12(2)15(18)13(19-3)5-4-7-16-14(17)6-8-20-10-11/h4-5,9,12-13,15,18H,6-8,10H2,1-3H3,(H,16,17)
InChIKeyKPPGRGGMWJLOQU-UHFFFAOYSA-N
XLogP1.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 11300518
(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,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 67992691
(7E,9S,10S,11R,12Z)-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
CID 71236048
1-[(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl]ethanone
CID 71236053
(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one
CID 71236084
(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
(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
CID 71236101
9-Methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
CID 78044085
1-(10-Hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone
CID 78044090

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one?
The IUPAC name of 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one (CID 78044118) is 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one.
What is the SMILES notation for 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one?
The canonical SMILES for 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one is COC1C=CCNC(=O)CCOCC(C)=CC(C)C1O.
What is the InChIKey of 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one?
The InChIKey is KPPGRGGMWJLOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11-9-12(2)15(18)13(19-3)5-4-7-16-14(17)6-8-20-10-11/h4-5,9,12-13,15,18H,6-8,10H2,1-3H3,(H,16,17).
What are the key properties of 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one?
10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one has a molecular weight of 283.37 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one is sourced from PubChem (CID 78044118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).