2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone

C16H22N2O — CID 166229712

IUPAC2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
SMILESCN(C)CC(=O)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C16H22N2O/c1-17(2)11-15(19)18-12-16(9-5-6-10-16)13-7-3-4-8-14(13)18/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKeyWGWBADOZPMRGSZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.41
Rot. Bonds2

About 2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone

2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone (PubChem CID 166229712) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
PubChem CID166229712
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
SMILESCN(C)CC(=O)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C16H22N2O/c1-17(2)11-15(19)18-12-16(9-5-6-10-16)13-7-3-4-8-14(13)18/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKeyWGWBADOZPMRGSZ-UHFFFAOYSA-N
XLogP2.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone?
The IUPAC name of 2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone (CID 166229712) is 2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone.
What is the SMILES notation for 2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone?
The canonical SMILES for 2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone is CN(C)CC(=O)N1CC2(CCCC2)c2ccccc21.
What is the InChIKey of 2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone?
The InChIKey is WGWBADOZPMRGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17(2)11-15(19)18-12-16(9-5-6-10-16)13-7-3-4-8-14(13)18/h3-4,7-8H,5-6,9-12H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone?
2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone has a molecular weight of 258.37 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone is sourced from PubChem (CID 166229712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).