1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone

C13H15NO — CID 118668748

IUPAC1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone
SMILESCC(=O)N1CC2(CCC2)c2ccccc21
InChIInChI=1S/C13H15NO/c1-10(15)14-9-13(7-4-8-13)11-5-2-3-6-12(11)14/h2-3,5-6H,4,7-9H2,1H3
InChIKeyFNFUQIBJRUSWLH-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.47
Rot. Bonds

About 1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone

1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone (PubChem CID 118668748) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone.

Molecular Properties

Compound Name1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone
PubChem CID118668748
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone
SMILESCC(=O)N1CC2(CCC2)c2ccccc21
InChIInChI=1S/C13H15NO/c1-10(15)14-9-13(7-4-8-13)11-5-2-3-6-12(11)14/h2-3,5-6H,4,7-9H2,1H3
InChIKeyFNFUQIBJRUSWLH-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone?
The IUPAC name of 1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone (CID 118668748) is 1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone.
What is the SMILES notation for 1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone?
The canonical SMILES for 1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone is CC(=O)N1CC2(CCC2)c2ccccc21.
What is the InChIKey of 1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone?
The InChIKey is FNFUQIBJRUSWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10(15)14-9-13(7-4-8-13)11-5-2-3-6-12(11)14/h2-3,5-6H,4,7-9H2,1H3.
What are the key properties of 1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone?
1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone has a molecular weight of 201.27 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[2H-indole-3,1'-cyclobutane]-1-ylethanone is sourced from PubChem (CID 118668748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).