(5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione

C28H24ClNO3 — CID 164683001

IUPAC(5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione
SMILESO=C1C(=O)[C@@]2(CN1Cc1ccccc1)[C@@H](c1ccccc1Cl)CC=C(c1ccccc1)[C@@H]2O
InChIInChI=1S/C28H24ClNO3/c29-24-14-8-7-13-22(24)23-16-15-21(20-11-5-2-6-12-20)25(31)28(23)18-30(27(33)26(28)32)17-19-9-3-1-4-10-19/h1-15,23,25,31H,16-18H2/t23-,25+,28+/m1/s1
InChIKeyMXEUXLKYGQULLO-CRRLPVGBSA-N
MW457.96 g/mol
LogP4.87
Rot. Bonds4

About (5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione

(5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione (PubChem CID 164683001) has the molecular formula C28H24ClNO3 and a molecular weight of 457.96 g/mol. Its IUPAC name is (5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione.

Molecular Properties

Compound Name(5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione
PubChem CID164683001
Molecular FormulaC28H24ClNO3
Molecular Weight457.96 g/mol
Exact Mass457.14
IUPAC Name(5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione
SMILESO=C1C(=O)[C@@]2(CN1Cc1ccccc1)[C@@H](c1ccccc1Cl)CC=C(c1ccccc1)[C@@H]2O
InChIInChI=1S/C28H24ClNO3/c29-24-14-8-7-13-22(24)23-16-15-21(20-11-5-2-6-12-20)25(31)28(23)18-30(27(33)26(28)32)17-19-9-3-1-4-10-19/h1-15,23,25,31H,16-18H2/t23-,25+,28+/m1/s1
InChIKeyMXEUXLKYGQULLO-CRRLPVGBSA-N
XLogP4.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione?
The IUPAC name of (5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione (CID 164683001) is (5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione.
What is the SMILES notation for (5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione?
The canonical SMILES for (5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione is O=C1C(=O)[C@@]2(CN1Cc1ccccc1)[C@@H](c1ccccc1Cl)CC=C(c1ccccc1)[C@@H]2O.
What is the InChIKey of (5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione?
The InChIKey is MXEUXLKYGQULLO-CRRLPVGBSA-N. The full InChI is InChI=1S/C28H24ClNO3/c29-24-14-8-7-13-22(24)23-16-15-21(20-11-5-2-6-12-20)25(31)28(23)18-30(27(33)26(28)32)17-19-9-3-1-4-10-19/h1-15,23,25,31H,16-18H2/t23-,25+,28+/m1/s1.
What are the key properties of (5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione?
(5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione has a molecular weight of 457.96 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,10S)-2-benzyl-6-(2-chlorophenyl)-10-hydroxy-9-phenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione is sourced from PubChem (CID 164683001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).