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

C28H25NO3 — CID 164683005

IUPAC(5R,6R,10S)-2-benzyl-10-hydroxy-6,9-diphenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione
SMILESO=C1C(=O)[C@@]2(CN1Cc1ccccc1)[C@@H](c1ccccc1)CC=C(c1ccccc1)[C@@H]2O
InChIInChI=1S/C28H25NO3/c30-25-23(21-12-6-2-7-13-21)16-17-24(22-14-8-3-9-15-22)28(25)19-29(27(32)26(28)31)18-20-10-4-1-5-11-20/h1-16,24-25,30H,17-19H2/t24-,25+,28+/m1/s1
InChIKeyNHZDHEATKYEQDR-QQNWGBJXSA-N
MW423.51 g/mol
LogP4.22
Rot. Bonds4

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

(5R,6R,10S)-2-benzyl-10-hydroxy-6,9-diphenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione (PubChem CID 164683005) has the molecular formula C28H25NO3 and a molecular weight of 423.51 g/mol. Its IUPAC name is (5R,6R,10S)-2-benzyl-10-hydroxy-6,9-diphenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione.

Molecular Properties

Compound Name(5R,6R,10S)-2-benzyl-10-hydroxy-6,9-diphenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione
PubChem CID164683005
Molecular FormulaC28H25NO3
Molecular Weight423.51 g/mol
Exact Mass423.18
IUPAC Name(5R,6R,10S)-2-benzyl-10-hydroxy-6,9-diphenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione
SMILESO=C1C(=O)[C@@]2(CN1Cc1ccccc1)[C@@H](c1ccccc1)CC=C(c1ccccc1)[C@@H]2O
InChIInChI=1S/C28H25NO3/c30-25-23(21-12-6-2-7-13-21)16-17-24(22-14-8-3-9-15-22)28(25)19-29(27(32)26(28)31)18-20-10-4-1-5-11-20/h1-16,24-25,30H,17-19H2/t24-,25+,28+/m1/s1
InChIKeyNHZDHEATKYEQDR-QQNWGBJXSA-N
XLogP4.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.22
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,6R,10S)-2-benzyl-10-hydroxy-6,9-diphenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione?
The IUPAC name of (5R,6R,10S)-2-benzyl-10-hydroxy-6,9-diphenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione (CID 164683005) is (5R,6R,10S)-2-benzyl-10-hydroxy-6,9-diphenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione.
What is the SMILES notation for (5R,6R,10S)-2-benzyl-10-hydroxy-6,9-diphenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione?
The canonical SMILES for (5R,6R,10S)-2-benzyl-10-hydroxy-6,9-diphenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione is O=C1C(=O)[C@@]2(CN1Cc1ccccc1)[C@@H](c1ccccc1)CC=C(c1ccccc1)[C@@H]2O.
What is the InChIKey of (5R,6R,10S)-2-benzyl-10-hydroxy-6,9-diphenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione?
The InChIKey is NHZDHEATKYEQDR-QQNWGBJXSA-N. The full InChI is InChI=1S/C28H25NO3/c30-25-23(21-12-6-2-7-13-21)16-17-24(22-14-8-3-9-15-22)28(25)19-29(27(32)26(28)31)18-20-10-4-1-5-11-20/h1-16,24-25,30H,17-19H2/t24-,25+,28+/m1/s1.
What are the key properties of (5R,6R,10S)-2-benzyl-10-hydroxy-6,9-diphenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione?
(5R,6R,10S)-2-benzyl-10-hydroxy-6,9-diphenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione has a molecular weight of 423.51 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,10S)-2-benzyl-10-hydroxy-6,9-diphenyl-2-azaspiro[4.5]dec-8-ene-3,4-dione is sourced from PubChem (CID 164683005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).