4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one

C15H17NO3 — CID 9150164

IUPAC4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCO2)c2c(C)ccc(C)c21
InChIInChI=1S/C15H17NO3/c1-4-7-16-13-11(3)6-5-10(2)12(13)15(14(16)17)18-8-9-19-15/h4-6H,1,7-9H2,2-3H3
InChIKeyKVAPVTQFJDSDLL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.04
Rot. Bonds2

About 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one

4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9150164) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9150164
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCO2)c2c(C)ccc(C)c21
InChIInChI=1S/C15H17NO3/c1-4-7-16-13-11(3)6-5-10(2)12(13)15(14(16)17)18-8-9-19-15/h4-6H,1,7-9H2,2-3H3
InChIKeyKVAPVTQFJDSDLL-UHFFFAOYSA-N
XLogP2.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9150164) is 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one is C=CCN1C(=O)C2(OCCO2)c2c(C)ccc(C)c21.
What is the InChIKey of 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is KVAPVTQFJDSDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-7-16-13-11(3)6-5-10(2)12(13)15(14(16)17)18-8-9-19-15/h4-6H,1,7-9H2,2-3H3.
What are the key properties of 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 259.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9150164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).