1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one

C17H15NO3 — CID 7036178

IUPAC1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2C12OCCO2
InChIInChI=1S/C17H15NO3/c19-16-17(20-10-11-21-17)14-8-4-5-9-15(14)18(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyVHZGWEHDOSHOQU-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.43
Rot. Bonds2

About 1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 7036178) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID7036178
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2C12OCCO2
InChIInChI=1S/C17H15NO3/c19-16-17(20-10-11-21-17)14-8-4-5-9-15(14)18(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyVHZGWEHDOSHOQU-UHFFFAOYSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9191054
1'-benzyl-5'-nitrospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 142598896
1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-dioxepane-2,3'-indole]-2'-one
CID 17138691
1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036177
2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate
CID 1247232
1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884261
1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884260
1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889643
1'-[(4-butoxy-3-methoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177780
7'-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
CID 11465522
(3S)-1,3-dibenzyl-3-benzylsulfanylindol-2-one
CID 122210430
(3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione
CID 132554346

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 7036178) is 1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C1N(Cc2ccccc2)c2ccccc2C12OCCO2.
What is the InChIKey of 1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is VHZGWEHDOSHOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16-17(20-10-11-21-17)14-8-4-5-9-15(14)18(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2.
What are the key properties of 1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 281.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 7036178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).