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

C12H13NO — CID 16748776

IUPAC1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone
SMILESCC(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C12H13NO/c1-9(14)13-8-12(6-7-12)10-4-2-3-5-11(10)13/h2-5H,6-8H2,1H3
InChIKeyFASBJQNSECLHNS-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.08
Rot. Bonds

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

1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone (PubChem CID 16748776) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone.

Molecular Properties

Compound Name1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone
PubChem CID16748776
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone
SMILESCC(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C12H13NO/c1-9(14)13-8-12(6-7-12)10-4-2-3-5-11(10)13/h2-5H,6-8H2,1H3
InChIKeyFASBJQNSECLHNS-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Formylmethylene)-1,3,3-trimethylindoline
CID 1712851
N-Methyloxindole
CID 6096
1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
1,3,3-Trimethyl-2-methyleneindoline
CID 8351
N-Ethyloxindole
CID 66135
1-(2-Chloroacetyl)indoline
CID 176897
1-Methyl-2,3-dihydro-1H-indole
CID 55830
Indoline, 1-piperidinoacetyl-
CID 41913
cyclohexyl(2,3-dihydro-1H-indol-1-yl)methanone
CID 701901
1-(2,3-dihydro-1H-indol-1-yl)prop-2-en-1-one
CID 23317889
1-cyclopropanecarbonyl-2,3-dihydro-1H-indole
CID 730204
1-Acetyl-6-aminoindoline
CID 258564

Frequently Asked Questions

What is the IUPAC name of 1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone?
The IUPAC name of 1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone (CID 16748776) is 1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone.
What is the SMILES notation for 1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone?
The canonical SMILES for 1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone is CC(=O)N1CC2(CC2)c2ccccc21.
What is the InChIKey of 1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone?
The InChIKey is FASBJQNSECLHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9(14)13-8-12(6-7-12)10-4-2-3-5-11(10)13/h2-5H,6-8H2,1H3.
What are the key properties of 1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone?
1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone has a molecular weight of 187.24 g/mol, XLogP of 2.08, 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'-cyclopropane]-1-ylethanone is sourced from PubChem (CID 16748776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).