1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one

C12H14ClNO — CID 135195397

IUPAC1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClNO/c1-8(2)12(15)14-6-5-9-3-4-10(13)7-11(9)14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyRUQSFDMCALGCKF-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.89
Rot. Bonds1

About 1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one

1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one (PubChem CID 135195397) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
PubChem CID135195397
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClNO/c1-8(2)12(15)14-6-5-9-3-4-10(13)7-11(9)14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyRUQSFDMCALGCKF-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-2,3-dihydroindole-1-carbonyl chloride
CID 139548954
3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
CID 119310127
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 82483275
1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
CID 50847617
1-(2-methylpropanoyl)-3,4-dihydro-2H-quinoline-7-sulfonyl chloride
CID 54594044
2-chloro-1-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 121204241
(2S)-2-chloro-1-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 129498472
1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea
CID 30372089
6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 122135848
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one (CID 135195397) is 1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCc2ccc(Cl)cc21.
What is the InChIKey of 1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one?
The InChIKey is RUQSFDMCALGCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8(2)12(15)14-6-5-9-3-4-10(13)7-11(9)14/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one?
1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one has a molecular weight of 223.70 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 135195397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).