5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one

C13H15NO — CID 84619753

IUPAC5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESCCc1ccc2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C13H15NO/c1-2-9-4-5-11-10(8-9)13(6-3-7-13)12(15)14-11/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyIMEKVEXFKODGFR-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.62
Rot. Bonds1

About 5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one

5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one (PubChem CID 84619753) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one
PubChem CID84619753
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESCCc1ccc2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C13H15NO/c1-2-9-4-5-11-10(8-9)13(6-3-7-13)12(15)14-11/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyIMEKVEXFKODGFR-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one?
The IUPAC name of 5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one (CID 84619753) is 5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one?
The canonical SMILES for 5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one is CCc1ccc2c(c1)C1(CCC1)C(=O)N2.
What is the InChIKey of 5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one?
The InChIKey is IMEKVEXFKODGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-9-4-5-11-10(8-9)13(6-3-7-13)12(15)14-11/h4-5,8H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one?
5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 84619753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).