(1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one

C15H19NO2 — CID 818417

IUPAC(1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one
SMILESCCO[C@]12CCCC[C@H]1C(=O)N2c1ccccc1
InChIInChI=1S/C15H19NO2/c1-2-18-15-11-7-6-10-13(15)14(17)16(15)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3/t13-,15+/m0/s1
InChIKeyWMQKYGLGFAQUCD-DZGCQCFKSA-N
MW245.32 g/mol
LogP2.96
Rot. Bonds3

About (1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one

(1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one (PubChem CID 818417) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one.

Molecular Properties

Compound Name(1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one
PubChem CID818417
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one
SMILESCCO[C@]12CCCC[C@H]1C(=O)N2c1ccccc1
InChIInChI=1S/C15H19NO2/c1-2-18-15-11-7-6-10-13(15)14(17)16(15)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3/t13-,15+/m0/s1
InChIKeyWMQKYGLGFAQUCD-DZGCQCFKSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,6S)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one
CID 818418
7a-ethoxy-2-methyl-3-(2-phenylethyl)-4,5,6,7-tetrahydro-3aH-inden-1-one
CID 16664503
(3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one
CID 129452540
1-(1-ethoxy-2-oxocyclohexyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
CID 12741099
1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane
CID 611084
(1-ethoxycyclohexyl)selanylbenzene
CID 134893569
ethyl 1-phenyl-7a-pyrrolidin-1-yl-4,5,6,7-tetrahydro-3aH-indazole-3-carboxylate
CID 57038404
6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one
CID 14663839
(4aS,8aR)-2-methyl-4a-phenyl-4,5,6,7,8,8a-hexahydroisoquinoline-1,3-dione
CID 22807512
1-(ethoxymethyl)-2-phenylcyclohexan-1-ol
CID 79566677
ethyl formate;1-phenylpiperidine
CID 174893706
3-ethyl-4-methyl-1,4-diphenylazetidin-2-one
CID 135025693

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one?
The IUPAC name of (1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one (CID 818417) is (1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one.
What is the SMILES notation for (1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one?
The canonical SMILES for (1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one is CCO[C@]12CCCC[C@H]1C(=O)N2c1ccccc1.
What is the InChIKey of (1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one?
The InChIKey is WMQKYGLGFAQUCD-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-18-15-11-7-6-10-13(15)14(17)16(15)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3/t13-,15+/m0/s1.
What are the key properties of (1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one?
(1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one has a molecular weight of 245.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one is sourced from PubChem (CID 818417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).