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

C19H21NO3 — CID 135063462

IUPAC(6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenoxy-1-azabicyclo[6.2.0]dec-6-en-10-one
SMILESC=C1CCN2C(=O)[C@H](Oc3ccccc3)[C@@H]2/C(OC)=C(/C)C1=C
InChIInChI=1S/C19H21NO3/c1-12-10-11-20-16(17(22-4)14(3)13(12)2)18(19(20)21)23-15-8-6-5-7-9-15/h5-9,16,18H,1-2,10-11H2,3-4H3/b17-14+/t16-,18+/m0/s1
InChIKeyUMQJLEPZXKMGLH-QHBYGKTLSA-N
MW311.38 g/mol
LogP3.08
Rot. Bonds3

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

(6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenoxy-1-azabicyclo[6.2.0]dec-6-en-10-one (PubChem CID 135063462) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenoxy-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-phenoxy-1-azabicyclo[6.2.0]dec-6-en-10-one
PubChem CID135063462
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenoxy-1-azabicyclo[6.2.0]dec-6-en-10-one
SMILESC=C1CCN2C(=O)[C@H](Oc3ccccc3)[C@@H]2/C(OC)=C(/C)C1=C
InChIInChI=1S/C19H21NO3/c1-12-10-11-20-16(17(22-4)14(3)13(12)2)18(19(20)21)23-15-8-6-5-7-9-15/h5-9,16,18H,1-2,10-11H2,3-4H3/b17-14+/t16-,18+/m0/s1
InChIKeyUMQJLEPZXKMGLH-QHBYGKTLSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenoxy-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-phenoxy-1-azabicyclo[6.2.0]dec-6-en-10-one (CID 135063462) is (6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenoxy-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-phenoxy-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-phenoxy-1-azabicyclo[6.2.0]dec-6-en-10-one is C=C1CCN2C(=O)[C@H](Oc3ccccc3)[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-phenoxy-1-azabicyclo[6.2.0]dec-6-en-10-one?
The InChIKey is UMQJLEPZXKMGLH-QHBYGKTLSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-10-11-20-16(17(22-4)14(3)13(12)2)18(19(20)21)23-15-8-6-5-7-9-15/h5-9,16,18H,1-2,10-11H2,3-4H3/b17-14+/t16-,18+/m0/s1.
What are the key properties of (6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenoxy-1-azabicyclo[6.2.0]dec-6-en-10-one?
(6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenoxy-1-azabicyclo[6.2.0]dec-6-en-10-one has a molecular weight of 311.38 g/mol, XLogP of 3.08, 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-methoxy-6-methyl-4,5-dimethylidene-9-phenoxy-1-azabicyclo[6.2.0]dec-6-en-10-one is sourced from PubChem (CID 135063462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).