4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one

C13H13Cl2NO3 — CID 9177663

IUPAC4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(OCCCO2)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C13H13Cl2NO3/c1-2-16-11-9(15)5-4-8(14)10(11)13(12(16)17)18-6-3-7-19-13/h4-5H,2-3,6-7H2,1H3
InChIKeyCEFZREZGNFCXMW-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.95
Rot. Bonds1

About 4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one

4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 9177663) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID9177663
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(OCCCO2)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C13H13Cl2NO3/c1-2-16-11-9(15)5-4-8(14)10(11)13(12(16)17)18-6-3-7-19-13/h4-5H,2-3,6-7H2,1H3
InChIKeyCEFZREZGNFCXMW-UHFFFAOYSA-N
XLogP2.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 9177663) is 4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one is CCN1C(=O)C2(OCCCO2)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is CEFZREZGNFCXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c1-2-16-11-9(15)5-4-8(14)10(11)13(12(16)17)18-6-3-7-19-13/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one?
4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 302.16 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4',7'-dichloro-1'-ethylspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 9177663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).