(6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one

C19H21NO3 — CID 135063453

IUPAC(6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one
SMILESC=C1CCN2C(=O)[C@H](OC)[C@@H]2/C(OC)=C(/c2ccccc2)C1=C
InChIInChI=1S/C19H21NO3/c1-12-10-11-20-16(18(23-4)19(20)21)17(22-3)15(13(12)2)14-8-6-5-7-9-14/h5-9,16,18H,1-2,10-11H2,3-4H3/b17-15-/t16-,18+/m0/s1
InChIKeyHIWXXZUUZTYZKG-TUEARFBRSA-N
MW311.38 g/mol
LogP2.79
Rot. Bonds3

About (6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one

(6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one (PubChem CID 135063453) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one.

Molecular Properties

Compound Name(6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one
PubChem CID135063453
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one
SMILESC=C1CCN2C(=O)[C@H](OC)[C@@H]2/C(OC)=C(/c2ccccc2)C1=C
InChIInChI=1S/C19H21NO3/c1-12-10-11-20-16(18(23-4)19(20)21)17(22-3)15(13(12)2)14-8-6-5-7-9-14/h5-9,16,18H,1-2,10-11H2,3-4H3/b17-15-/t16-,18+/m0/s1
InChIKeyHIWXXZUUZTYZKG-TUEARFBRSA-N
XLogP2.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one?
The IUPAC name of (6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one (CID 135063453) is (6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one.
What is the SMILES notation for (6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one?
The canonical SMILES for (6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one is C=C1CCN2C(=O)[C@H](OC)[C@@H]2/C(OC)=C(/c2ccccc2)C1=C.
What is the InChIKey of (6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one?
The InChIKey is HIWXXZUUZTYZKG-TUEARFBRSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-10-11-20-16(18(23-4)19(20)21)17(22-3)15(13(12)2)14-8-6-5-7-9-14/h5-9,16,18H,1-2,10-11H2,3-4H3/b17-15-/t16-,18+/m0/s1.
What are the key properties of (6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one?
(6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one has a molecular weight of 311.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one is sourced from PubChem (CID 135063453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).