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

C16H19NO3 — CID 9125973

IUPAC4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCCO2)c2c(C)ccc(C)c21
InChIInChI=1S/C16H19NO3/c1-4-8-17-14-12(3)7-6-11(2)13(14)16(15(17)18)19-9-5-10-20-16/h4,6-7H,1,5,8-10H2,2-3H3
InChIKeyWFRSMSFVBNPSLQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.43
Rot. Bonds2

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

4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 9125973) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID9125973
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCCO2)c2c(C)ccc(C)c21
InChIInChI=1S/C16H19NO3/c1-4-8-17-14-12(3)7-6-11(2)13(14)16(15(17)18)19-9-5-10-20-16/h4,6-7H,1,5,8-10H2,2-3H3
InChIKeyWFRSMSFVBNPSLQ-UHFFFAOYSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 9125973) is 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one is C=CCN1C(=O)C2(OCCCO2)c2c(C)ccc(C)c21.
What is the InChIKey of 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is WFRSMSFVBNPSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-8-17-14-12(3)7-6-11(2)13(14)16(15(17)18)19-9-5-10-20-16/h4,6-7H,1,5,8-10H2,2-3H3.
What are the key properties of 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 273.33 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 4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 9125973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).