3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one

C13H16ClNO — CID 63679943

IUPAC3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(CCl)C(=O)N1CCc2ccccc21
InChIInChI=1S/C13H16ClNO/c1-13(2,9-14)12(16)15-8-7-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3
InChIKeyGNEXUAPTSZVYJV-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.84
Rot. Bonds2

About 3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one

3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 63679943) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one
PubChem CID63679943
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(CCl)C(=O)N1CCc2ccccc21
InChIInChI=1S/C13H16ClNO/c1-13(2,9-14)12(16)15-8-7-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3
InChIKeyGNEXUAPTSZVYJV-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
S-ethyl 2,3-dihydroindole-1-carbothioate
CID 46914254
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108962811
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride
CID 99980595
N,N-diethyl-2,3-dihydroindole-1-carboxamide
CID 2987329
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 113197943
3-(2,3-dihydroindol-1-yl)-2,2-dimethyl-3-oxo-N-(2,4,6-trimethylphenyl)propanamide
CID 108967644
1-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110665050
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one (CID 63679943) is 3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one is CC(C)(CCl)C(=O)N1CCc2ccccc21.
What is the InChIKey of 3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is GNEXUAPTSZVYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-13(2,9-14)12(16)15-8-7-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3.
What are the key properties of 3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one?
3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 237.73 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 63679943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).