5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one

C13H14ClNO3 — CID 1229599

IUPAC5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCCCN1C(=O)C2(OCCO2)c2cc(Cl)ccc21
InChIInChI=1S/C13H14ClNO3/c1-2-5-15-11-4-3-9(14)8-10(11)13(12(15)16)17-6-7-18-13/h3-4,8H,2,5-7H2,1H3
InChIKeyKYXBXJWFURVDKU-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.30
Rot. Bonds2

About 5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one

5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 1229599) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID1229599
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCCCN1C(=O)C2(OCCO2)c2cc(Cl)ccc21
InChIInChI=1S/C13H14ClNO3/c1-2-5-15-11-4-3-9(14)8-10(11)13(12(15)16)17-6-7-18-13/h3-4,8H,2,5-7H2,1H3
InChIKeyKYXBXJWFURVDKU-UHFFFAOYSA-N
XLogP2.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 1229599) is 5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one is CCCN1C(=O)C2(OCCO2)c2cc(Cl)ccc21.
What is the InChIKey of 5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is KYXBXJWFURVDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-2-5-15-11-4-3-9(14)8-10(11)13(12(15)16)17-6-7-18-13/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 267.71 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-chloro-1'-propylspiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 1229599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).