2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride

C10H11Cl2NO — CID 56766314

IUPAC2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
SMILESCl.O=C(CCl)c1ccc2c(c1)CCN2
InChIInChI=1S/C10H10ClNO.ClH/c11-6-10(13)8-1-2-9-7(5-8)3-4-12-9;/h1-2,5,12H,3-4,6H2;1H
InChIKeyLHJKKAOLHRKXDC-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.50
Rot. Bonds2

About 2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride

2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride (PubChem CID 56766314) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
PubChem CID56766314
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
SMILESCl.O=C(CCl)c1ccc2c(c1)CCN2
InChIInChI=1S/C10H10ClNO.ClH/c11-6-10(13)8-1-2-9-7(5-8)3-4-12-9;/h1-2,5,12H,3-4,6H2;1H
InChIKeyLHJKKAOLHRKXDC-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
1-(2,3-dihydro-1H-indol-5-yl)hex-4-yn-1-one
CID 116554292
1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone
CID 82102357
1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone
CID 82102369
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 106871189
1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone
CID 116554091
3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid
CID 82102384
1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one
CID 116554160
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride?
The IUPAC name of 2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride (CID 56766314) is 2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride?
The canonical SMILES for 2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride is Cl.O=C(CCl)c1ccc2c(c1)CCN2.
What is the InChIKey of 2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride?
The InChIKey is LHJKKAOLHRKXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO.ClH/c11-6-10(13)8-1-2-9-7(5-8)3-4-12-9;/h1-2,5,12H,3-4,6H2;1H.
What are the key properties of 2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride?
2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride has a molecular weight of 232.11 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride is sourced from PubChem (CID 56766314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).