6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one

C12H11Cl2NO3 — CID 9178226

IUPAC6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(OCCO2)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C12H11Cl2NO3/c1-2-15-10-7(3-4-8(13)9(10)14)12(11(15)16)17-5-6-18-12/h3-4H,2,5-6H2,1H3
InChIKeyJPEMHLSCPMFZPK-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.56
Rot. Bonds1

About 6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one

6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9178226) has the molecular formula C12H11Cl2NO3 and a molecular weight of 288.13 g/mol. Its IUPAC name is 6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9178226
Molecular FormulaC12H11Cl2NO3
Molecular Weight288.13 g/mol
Exact Mass287.01
IUPAC Name6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(OCCO2)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C12H11Cl2NO3/c1-2-15-10-7(3-4-8(13)9(10)14)12(11(15)16)17-5-6-18-12/h3-4H,2,5-6H2,1H3
InChIKeyJPEMHLSCPMFZPK-UHFFFAOYSA-N
XLogP2.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9178226) is 6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one is CCN1C(=O)C2(OCCO2)c2ccc(Cl)c(Cl)c21.
What is the InChIKey of 6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is JPEMHLSCPMFZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3/c1-2-15-10-7(3-4-8(13)9(10)14)12(11(15)16)17-5-6-18-12/h3-4H,2,5-6H2,1H3.
What are the key properties of 6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 288.13 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9178226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).