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

C20H23NO3 — CID 135062653

IUPAC(6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one
SMILESC=C1CCN2C(=O)[C@H](OCc3ccccc3)[C@@H]2/C(OC)=C(/C)C1=C
InChIInChI=1S/C20H23NO3/c1-13-10-11-21-17(18(23-4)15(3)14(13)2)19(20(21)22)24-12-16-8-6-5-7-9-16/h5-9,17,19H,1-2,10-12H2,3-4H3/b18-15+/t17-,19+/m0/s1
InChIKeyOBDCUJPMHSKWPU-NZFQHOGASA-N
MW325.41 g/mol
LogP3.22
Rot. Bonds4

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

(6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one (PubChem CID 135062653) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one.

Molecular Properties

Compound Name(6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one
PubChem CID135062653
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one
SMILESC=C1CCN2C(=O)[C@H](OCc3ccccc3)[C@@H]2/C(OC)=C(/C)C1=C
InChIInChI=1S/C20H23NO3/c1-13-10-11-21-17(18(23-4)15(3)14(13)2)19(20(21)22)24-12-16-8-6-5-7-9-16/h5-9,17,19H,1-2,10-12H2,3-4H3/b18-15+/t17-,19+/m0/s1
InChIKeyOBDCUJPMHSKWPU-NZFQHOGASA-N
XLogP3.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-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

Related Compounds

(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
(3S,4S)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10617763
(3S,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 134835524
(3R,4S)-3-phenylmethoxy-1-propan-2-yl-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]azetidin-2-one
CID 139095407
(3S,4S)-4-[(pentafluoro-lambda6-sulfanyl)methyl]-3-phenylmethoxy-1-prop-2-enylazetidin-2-one
CID 139193507
(3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one
CID 11290618
(3S,4R)-4-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidin-2-one
CID 10657736
(3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-propan-2-ylazetidin-2-one
CID 11220816
(3S,4S)-4-(2-chloropropan-2-yl)-3-phenylmethoxy-1-propan-2-ylazetidin-2-one
CID 11289443
(3S,4S)-4-(2-chloropropan-2-yl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one
CID 11335364
(3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one
CID 11367993
tert-butyl (3R,4S)-3-ethenyl-2-oxo-4-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 15025573

Frequently Asked Questions

What is the IUPAC name of (6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one?
The IUPAC name of (6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one (CID 135062653) is (6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one.
What is the SMILES notation for (6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one?
The canonical SMILES for (6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one is C=C1CCN2C(=O)[C@H](OCc3ccccc3)[C@@H]2/C(OC)=C(/C)C1=C.
What is the InChIKey of (6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one?
The InChIKey is OBDCUJPMHSKWPU-NZFQHOGASA-N. The full InChI is InChI=1S/C20H23NO3/c1-13-10-11-21-17(18(23-4)15(3)14(13)2)19(20(21)22)24-12-16-8-6-5-7-9-16/h5-9,17,19H,1-2,10-12H2,3-4H3/b18-15+/t17-,19+/m0/s1.
What are the key properties of (6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one?
(6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one has a molecular weight of 325.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one is sourced from PubChem (CID 135062653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).