1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one

C17H14ClNO3 — CID 9178088

IUPAC1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2)c2ccc(Cl)cc2C12OCCO2
InChIInChI=1S/C17H14ClNO3/c18-13-6-7-15-14(10-13)17(21-8-9-22-17)16(20)19(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyBICAWSSFSOALAQ-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.09
Rot. Bonds2

About 1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9178088) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9178088
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2)c2ccc(Cl)cc2C12OCCO2
InChIInChI=1S/C17H14ClNO3/c18-13-6-7-15-14(10-13)17(21-8-9-22-17)16(20)19(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyBICAWSSFSOALAQ-UHFFFAOYSA-N
XLogP3.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9178088) is 1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C1N(Cc2ccccc2)c2ccc(Cl)cc2C12OCCO2.
What is the InChIKey of 1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is BICAWSSFSOALAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-13-6-7-15-14(10-13)17(21-8-9-22-17)16(20)19(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2.
What are the key properties of 1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 315.76 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9178088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).