4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one

C33H25NO3 — CID 122212997

IUPAC4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OC(c3ccccc3)=C(C(=O)c3ccccc3)C2c2ccccc2)c2ccccc21
InChIInChI=1S/C33H25NO3/c1-2-22-34-27-21-13-12-20-26(27)33(32(34)36)29(23-14-6-3-7-15-23)28(30(35)24-16-8-4-9-17-24)31(37-33)25-18-10-5-11-19-25/h2-21,29H,1,22H2
InChIKeyCWLAZJPJPVHDJA-UHFFFAOYSA-N
MW483.57 g/mol
LogP6.52
Rot. Bonds6

About 4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one

4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one (PubChem CID 122212997) has the molecular formula C33H25NO3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one.

Molecular Properties

Compound Name4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one
PubChem CID122212997
Molecular FormulaC33H25NO3
Molecular Weight483.57 g/mol
Exact Mass483.18
IUPAC Name4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OC(c3ccccc3)=C(C(=O)c3ccccc3)C2c2ccccc2)c2ccccc21
InChIInChI=1S/C33H25NO3/c1-2-22-34-27-21-13-12-20-26(27)33(32(34)36)29(23-14-6-3-7-15-23)28(30(35)24-16-8-4-9-17-24)31(37-33)25-18-10-5-11-19-25/h2-21,29H,1,22H2
InChIKeyCWLAZJPJPVHDJA-UHFFFAOYSA-N
XLogP6.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-3-methyl-1-prop-2-enylindol-2-one
CID 177313716
3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
CID 132572570
(4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one
CID 102258798
1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036177
5-phenyl-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one
CID 102583375
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2924908
N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide
CID 23846572
(3S)-3-hydroxy-3-[(2R)-2-hydroxypropyl]-1-prop-2-enylindol-2-one
CID 9177418
3-hydroxy-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-1-prop-2-enylindol-2-one
CID 2957508
(3S)-5-bromo-3-hydroxy-3-phenacyl-1-prop-2-enylindol-2-one
CID 1075401
diethyl (3S)-2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate
CID 1394847
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 3150787

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one?
The IUPAC name of 4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one (CID 122212997) is 4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one.
What is the SMILES notation for 4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one?
The canonical SMILES for 4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one is C=CCN1C(=O)C2(OC(c3ccccc3)=C(C(=O)c3ccccc3)C2c2ccccc2)c2ccccc21.
What is the InChIKey of 4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one?
The InChIKey is CWLAZJPJPVHDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO3/c1-2-22-34-27-21-13-12-20-26(27)33(32(34)36)29(23-14-6-3-7-15-23)28(30(35)24-16-8-4-9-17-24)31(37-33)25-18-10-5-11-19-25/h2-21,29H,1,22H2.
What are the key properties of 4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one?
4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one has a molecular weight of 483.57 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-3,5-diphenyl-1'-prop-2-enylspiro[3H-furan-2,3'-indole]-2'-one is sourced from PubChem (CID 122212997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).