9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one

C15H25NO3 — CID 78044111

IUPAC9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one
SMILESCOC1C=CCCCC(=O)NCC(C)=CC(C)C1O
InChIInChI=1S/C15H25NO3/c1-11-9-12(2)15(18)13(19-3)7-5-4-6-8-14(17)16-10-11/h5,7,9,12-13,15,18H,4,6,8,10H2,1-3H3,(H,16,17)
InChIKeyRBRZWZLHWWRTSF-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.80
Rot. Bonds1

About 9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one

9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one (PubChem CID 78044111) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one.

Molecular Properties

Compound Name9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one
PubChem CID78044111
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one
SMILESCOC1C=CCCCC(=O)NCC(C)=CC(C)C1O
InChIInChI=1S/C15H25NO3/c1-11-9-12(2)15(18)13(19-3)7-5-4-6-8-14(17)16-10-11/h5,7,9,12-13,15,18H,4,6,8,10H2,1-3H3,(H,16,17)
InChIKeyRBRZWZLHWWRTSF-UHFFFAOYSA-N
XLogP1.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
(5E,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one
CID 71227696
(10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one
CID 71227698
8-Hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one
CID 71227701
(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 71236087
(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
CID 71236092
(5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one
CID 71236093
(6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one
CID 71236094
1-[(3Z,5R,6S,7S,8E)-6-hydroxy-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone
CID 71236097

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one?
The IUPAC name of 9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one (CID 78044111) is 9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one.
What is the SMILES notation for 9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one?
The canonical SMILES for 9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one is COC1C=CCCCC(=O)NCC(C)=CC(C)C1O.
What is the InChIKey of 9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one?
The InChIKey is RBRZWZLHWWRTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-9-12(2)15(18)13(19-3)7-5-4-6-8-14(17)16-10-11/h5,7,9,12-13,15,18H,4,6,8,10H2,1-3H3,(H,16,17).
What are the key properties of 9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one?
9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one has a molecular weight of 267.37 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one is sourced from PubChem (CID 78044111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).