1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one

C16H21NO — CID 110750758

IUPAC1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
SMILESCCCC(=O)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C16H21NO/c1-2-7-15(18)17-12-16(10-5-6-11-16)13-8-3-4-9-14(13)17/h3-4,8-9H,2,5-7,10-12H2,1H3
InChIKeyJHQYXNICIZBLAO-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.65
Rot. Bonds2

About 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one

1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one (PubChem CID 110750758) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one.

Molecular Properties

Compound Name1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
PubChem CID110750758
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
SMILESCCCC(=O)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C16H21NO/c1-2-7-15(18)17-12-16(10-5-6-11-16)13-8-3-4-9-14(13)17/h3-4,8-9H,2,5-7,10-12H2,1H3
InChIKeyJHQYXNICIZBLAO-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 166229712
4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride
CID 120562983
N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide
CID 75514639
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride
CID 120611001
4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione
CID 167793924
3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride
CID 120501177
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one
CID 99701637
2-pyrrolidin-2-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone;hydrochloride
CID 119791586
1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 175853428

Frequently Asked Questions

What is the IUPAC name of 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one?
The IUPAC name of 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one (CID 110750758) is 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one.
What is the SMILES notation for 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one?
The canonical SMILES for 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one is CCCC(=O)N1CC2(CCCC2)c2ccccc21.
What is the InChIKey of 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one?
The InChIKey is JHQYXNICIZBLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-7-15(18)17-12-16(10-5-6-11-16)13-8-3-4-9-14(13)17/h3-4,8-9H,2,5-7,10-12H2,1H3.
What are the key properties of 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one?
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one has a molecular weight of 243.35 g/mol, XLogP of 3.65, 2 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'-cyclopentane]-1-ylbutan-1-one is sourced from PubChem (CID 110750758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).