1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one

C19H19NO3 — CID 9150173

IUPAC1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1ccc(C)c2c1N(Cc1ccccc1)C(=O)C21OCCO1
InChIInChI=1S/C19H19NO3/c1-13-8-9-14(2)17-16(13)19(22-10-11-23-19)18(21)20(17)12-15-6-4-3-5-7-15/h3-9H,10-12H2,1-2H3
InChIKeyBZMKXCROHXFKPZ-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.05
Rot. Bonds2

About 1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9150173) has the molecular formula C19H19NO3 and a molecular weight of 309.36 g/mol. Its IUPAC name is 1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9150173
Molecular FormulaC19H19NO3
Molecular Weight309.36 g/mol
Exact Mass309.14
IUPAC Name1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1ccc(C)c2c1N(Cc1ccccc1)C(=O)C21OCCO1
InChIInChI=1S/C19H19NO3/c1-13-8-9-14(2)17-16(13)19(22-10-11-23-19)18(21)20(17)12-15-6-4-3-5-7-15/h3-9H,10-12H2,1-2H3
InChIKeyBZMKXCROHXFKPZ-UHFFFAOYSA-N
XLogP3.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9150173) is 1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one is Cc1ccc(C)c2c1N(Cc1ccccc1)C(=O)C21OCCO1.
What is the InChIKey of 1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is BZMKXCROHXFKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13-8-9-14(2)17-16(13)19(22-10-11-23-19)18(21)20(17)12-15-6-4-3-5-7-15/h3-9H,10-12H2,1-2H3.
What are the key properties of 1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 309.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9150173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).