7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one

C28H24N2O5 — CID 11465522

IUPAC7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
SMILESCO/C=C/[C@@]1(c2cccc3c2NC(=O)C32OCCO2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C28H24N2O5/c1-33-15-14-27(21-11-7-12-22-24(21)29-25(31)28(22)34-16-17-35-28)20-10-5-6-13-23(20)30(26(27)32)18-19-8-3-2-4-9-19/h2-15H,16-18H2,1H3,(H,29,31)/b15-14+/t27-/m1/s1
InChIKeyDDDFNQGWPDBBKW-BTUVCSFDSA-N
MW468.51 g/mol
LogP3.83
Rot. Bonds5

About 7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one

7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one (PubChem CID 11465522) has the molecular formula C28H24N2O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is 7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
PubChem CID11465522
Molecular FormulaC28H24N2O5
Molecular Weight468.51 g/mol
Exact Mass468.17
IUPAC Name7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
SMILESCO/C=C/[C@@]1(c2cccc3c2NC(=O)C32OCCO2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C28H24N2O5/c1-33-15-14-27(21-11-7-12-22-24(21)29-25(31)28(22)34-16-17-35-28)20-10-5-6-13-23(20)30(26(27)32)18-19-8-3-2-4-9-19/h2-15H,16-18H2,1H3,(H,29,31)/b15-14+/t27-/m1/s1
InChIKeyDDDFNQGWPDBBKW-BTUVCSFDSA-N
XLogP3.83
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
tert-butyl N-[2-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]phenyl]carbamate
CID 11305928
1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9191054
(3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione
CID 132554346
1'-benzyl-5'-nitrospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 142598896
1-benzyl-3-(2-bromoethyl)-3-methylindol-2-one
CID 166448944
1'-[(4-butoxy-3-methoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177780
1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884261
(1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate
CID 102343309
1-benzyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 3150812
1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-dioxepane-2,3'-indole]-2'-one
CID 17138691
1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one
CID 101480098

Frequently Asked Questions

What is the IUPAC name of 7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The IUPAC name of 7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one (CID 11465522) is 7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one is CO/C=C/[C@@]1(c2cccc3c2NC(=O)C32OCCO2)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The InChIKey is DDDFNQGWPDBBKW-BTUVCSFDSA-N. The full InChI is InChI=1S/C28H24N2O5/c1-33-15-14-27(21-11-7-12-22-24(21)29-25(31)28(22)34-16-17-35-28)20-10-5-6-13-23(20)30(26(27)32)18-19-8-3-2-4-9-19/h2-15H,16-18H2,1H3,(H,29,31)/b15-14+/t27-/m1/s1.
What are the key properties of 7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one has a molecular weight of 468.51 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 11465522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).