(2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one

C17H21NO2 — CID 11821723

IUPAC(2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one
SMILESCC[C@@H]1C[C@]12N=C(c1ccccc1)[C@H](C(C)C)OC2=O
InChIInChI=1S/C17H21NO2/c1-4-13-10-17(13)16(19)20-15(11(2)3)14(18-17)12-8-6-5-7-9-12/h5-9,11,13,15H,4,10H2,1-3H3/t13-,15+,17+/m1/s1
InChIKeyRKDVEOLQSJVABF-KMFMINBZSA-N
MW271.36 g/mol
LogP3.23
Rot. Bonds3

About (2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one

(2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one (PubChem CID 11821723) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one.

Molecular Properties

Compound Name(2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one
PubChem CID11821723
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one
SMILESCC[C@@H]1C[C@]12N=C(c1ccccc1)[C@H](C(C)C)OC2=O
InChIInChI=1S/C17H21NO2/c1-4-13-10-17(13)16(19)20-15(11(2)3)14(18-17)12-8-6-5-7-9-12/h5-9,11,13,15H,4,10H2,1-3H3/t13-,15+,17+/m1/s1
InChIKeyRKDVEOLQSJVABF-KMFMINBZSA-N
XLogP3.23
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

(2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one
CID 11042179
2-Methylpropyl 2-fluoro-3-phenylazirine-2-carboxylate
CID 146169314
(3R,6R)-3-benzyl-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-1,4-oxazin-2-one
CID 25178795
5,5-Dimethyl-3-phenyl-5,6-dihydro-2H-1,4-oxazin-2-on
CID 121015119
Ethyl 3-cyclobutyl-2-(diphenylmethyleneamino)propanoate
CID 16087189
N'-[(E)-2-fluoro-5-[(2R,5S)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-5-yl]pent-2-enyl]ethanimidamide
CID 60037125
N'-[(Z)-2-fluoro-5-[(2R,5S)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-5-yl]pent-2-enyl]ethanimidamide
CID 69699038
(E)-4-fluoro-7-[(2R,5S)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-5-yl]hept-4-enimidamide
CID 69699304
(Z)-4-fluoro-7-[(2R,5S)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-5-yl]hept-4-enimidamide
CID 69699308
ethyl (2R)-2-(benzhydrylideneamino)-5-cyclopropyl-4,4-difluoropentanoate
CID 87213906
Ethyl 2-(benzhydrylideneamino)-5-cyclopropyl-4,4-difluoropentanoate
CID 87213908
Ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate
CID 90825205

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one?
The IUPAC name of (2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one (CID 11821723) is (2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one.
What is the SMILES notation for (2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one?
The canonical SMILES for (2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one is CC[C@@H]1C[C@]12N=C(c1ccccc1)[C@H](C(C)C)OC2=O.
What is the InChIKey of (2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one?
The InChIKey is RKDVEOLQSJVABF-KMFMINBZSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-13-10-17(13)16(19)20-15(11(2)3)14(18-17)12-8-6-5-7-9-12/h5-9,11,13,15H,4,10H2,1-3H3/t13-,15+,17+/m1/s1.
What are the key properties of (2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one?
(2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one has a molecular weight of 271.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one is sourced from PubChem (CID 11821723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).