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

C13H11Cl2NO3 — CID 9150272

IUPAC4',7'-dichloro-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCO2)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C13H11Cl2NO3/c1-2-5-16-11-9(15)4-3-8(14)10(11)13(12(16)17)18-6-7-19-13/h2-4H,1,5-7H2
InChIKeySXKQOCSZYAPLTQ-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.73
Rot. Bonds2

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

4',7'-dichloro-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9150272) has the molecular formula C13H11Cl2NO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is 4',7'-dichloro-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name4',7'-dichloro-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9150272
Molecular FormulaC13H11Cl2NO3
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Name4',7'-dichloro-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCO2)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C13H11Cl2NO3/c1-2-5-16-11-9(15)4-3-8(14)10(11)13(12(16)17)18-6-7-19-13/h2-4H,1,5-7H2
InChIKeySXKQOCSZYAPLTQ-UHFFFAOYSA-N
XLogP2.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.73
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'-dichloro-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 4',7'-dichloro-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9150272) is 4',7'-dichloro-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 4',7'-dichloro-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 4',7'-dichloro-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one is C=CCN1C(=O)C2(OCCO2)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 4',7'-dichloro-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is SXKQOCSZYAPLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3/c1-2-5-16-11-9(15)4-3-8(14)10(11)13(12(16)17)18-6-7-19-13/h2-4H,1,5-7H2.
What are the key properties of 4',7'-dichloro-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
4',7'-dichloro-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 300.14 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4',7'-dichloro-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9150272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).