(2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one

C19H18N2O4 — CID 122234586

IUPAC(2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one
SMILESO=C1OCC[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@H]2c1ccccc1
InChIInChI=1S/C19H18N2O4/c22-18-19(11-12-25-18)15(13-7-3-1-4-8-13)17(21(23)24)16(20-19)14-9-5-2-6-10-14/h1-10,15-17,20H,11-12H2/t15-,16-,17-,19-/m1/s1
InChIKeyJESFINREGSXPRI-YWTNHNAXSA-N
MW338.36 g/mol
LogP2.45
Rot. Bonds3

About (2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one

(2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one (PubChem CID 122234586) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name(2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one
PubChem CID122234586
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one
SMILESO=C1OCC[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@H]2c1ccccc1
InChIInChI=1S/C19H18N2O4/c22-18-19(11-12-25-18)15(13-7-3-1-4-8-13)17(21(23)24)16(20-19)14-9-5-2-6-10-14/h1-10,15-17,20H,11-12H2/t15-,16-,17-,19-/m1/s1
InChIKeyJESFINREGSXPRI-YWTNHNAXSA-N
XLogP2.45
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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(4R,5S)-3-methylidene-4-phenyl-7-oxa-1-azaspiro[4.4]nonane-2,6-dione
CID 102306879
(1R,3S,3aS,9aS)-6-bromo-1-phenylspiro[1,2,3a,9a-tetrahydrochromeno[2,3-c]pyrrole-3,3'-oxolane]-2',9-dione
CID 162416353
(3'R,4'S,5'S)-1-benzyl-3'-(4-chlorophenyl)-4'-nitro-5'-phenylspiro[indole-3,2'-pyrrolidine]-2-one
CID 102432889
methyl (2S,3S,4S,5S)-3-(4-ethoxyphenyl)-2-methyl-4-nitro-5-phenylpyrrolidine-2-carboxylate
CID 169096890
(3'R,4'S,5'R)-4'-nitro-3',5'-diphenylspiro[indene-2,2'-oxolane]-1,3-dione
CID 98416454
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CID 7188579
(6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione
CID 177479430
6-(4-nitrophenyl)-8-phenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one
CID 5324023
(2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane
CID 135041702
(2S,3S,4R,5S)-4-nitro-3,5-diphenylpyrrolidine-2-carboxylic acid
CID 132564270
7,9-bis(4-fluoro-3-phenoxyphenyl)-3,3-dimethyl-10-nitro-11-phenyl-2,4-dioxa-8-azaspiro[5.5]undecane-1,5-dione
CID 102126579

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one?
The IUPAC name of (2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one (CID 122234586) is (2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one.
What is the SMILES notation for (2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one?
The canonical SMILES for (2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one is O=C1OCC[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@H]2c1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one?
The InChIKey is JESFINREGSXPRI-YWTNHNAXSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-18-19(11-12-25-18)15(13-7-3-1-4-8-13)17(21(23)24)16(20-19)14-9-5-2-6-10-14/h1-10,15-17,20H,11-12H2/t15-,16-,17-,19-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one?
(2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one has a molecular weight of 338.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-3-nitro-2,4-diphenyl-7-oxa-1-azaspiro[4.4]nonan-6-one is sourced from PubChem (CID 122234586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).