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

C16H19NO2 — CID 134918655

IUPAC(2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one
SMILESCC(C)[C@@H]1OC(=O)[C@]2(C[C@H]2C)N=C1c1ccccc1
InChIInChI=1S/C16H19NO2/c1-10(2)14-13(12-7-5-4-6-8-12)17-16(9-11(16)3)15(18)19-14/h4-8,10-11,14H,9H2,1-3H3/t11-,14+,16-/m1/s1
InChIKeyDGTCTQNKBACMKM-DIOULYMOSA-N
MW257.33 g/mol
LogP2.84
Rot. Bonds2

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

(2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one (PubChem CID 134918655) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one.

Molecular Properties

Compound Name(2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one
PubChem CID134918655
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one
SMILESCC(C)[C@@H]1OC(=O)[C@]2(C[C@H]2C)N=C1c1ccccc1
InChIInChI=1S/C16H19NO2/c1-10(2)14-13(12-7-5-4-6-8-12)17-16(9-11(16)3)15(18)19-14/h4-8,10-11,14H,9H2,1-3H3/t11-,14+,16-/m1/s1
InChIKeyDGTCTQNKBACMKM-DIOULYMOSA-N
XLogP2.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.84
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
(2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one
CID 11821723
(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
Methyl 2-cyclopropyl-2-((diphenylmethylene)amino)acetate
CID 162639866
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
N'-[(Z)-2-fluoro-5-[(2R,5S)-5-methyl-6-oxo-3-phenyl-2-propyl-2H-1,4-oxazin-5-yl]pent-2-enyl]ethanimidamide
CID 69954364
Ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate
CID 90825205
N'-[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 91594424

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one?
The IUPAC name of (2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one (CID 134918655) is (2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one.
What is the SMILES notation for (2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one?
The canonical SMILES for (2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one is CC(C)[C@@H]1OC(=O)[C@]2(C[C@H]2C)N=C1c1ccccc1.
What is the InChIKey of (2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one?
The InChIKey is DGTCTQNKBACMKM-DIOULYMOSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10(2)14-13(12-7-5-4-6-8-12)17-16(9-11(16)3)15(18)19-14/h4-8,10-11,14H,9H2,1-3H3/t11-,14+,16-/m1/s1.
What are the key properties of (2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one?
(2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one has a molecular weight of 257.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-2-methyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one is sourced from PubChem (CID 134918655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).