(6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one

C15H25NO3 — CID 71236094

IUPAC(6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one
SMILESCO[C@H]1/C=C/CCCC(=O)NC/C(C)=C\[C@@H](C)[C@@H]1O
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)/b7-5+,11-9-/t12-,13+,15+/m1/s1
InChIKeyRBRZWZLHWWRTSF-UJGRFKBTSA-N
MW267.37 g/mol
LogP1.80
Rot. Bonds1

About (6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one

(6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one (PubChem CID 71236094) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one.

Molecular Properties

Compound Name(6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one
PubChem CID71236094
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one
SMILESCO[C@H]1/C=C/CCCC(=O)NC/C(C)=C\[C@@H](C)[C@@H]1O
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)/b7-5+,11-9-/t12-,13+,15+/m1/s1
InChIKeyRBRZWZLHWWRTSF-UJGRFKBTSA-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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Frequently Asked Questions

What is the IUPAC name of (6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one?
The IUPAC name of (6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one (CID 71236094) is (6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one.
What is the SMILES notation for (6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one?
The canonical SMILES for (6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one is CO[C@H]1/C=C/CCCC(=O)NC/C(C)=C\[C@@H](C)[C@@H]1O.
What is the InChIKey of (6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one?
The InChIKey is RBRZWZLHWWRTSF-UJGRFKBTSA-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)/b7-5+,11-9-/t12-,13+,15+/m1/s1.
What are the key properties of (6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one?
(6E,8S,9S,10R,11Z)-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 (6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one is sourced from PubChem (CID 71236094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).