1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone

C11H12ClNO — CID 83884756

IUPAC1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone
SMILESCC(=O)c1cc(Cl)c2c(c1)CCN2C
InChIInChI=1S/C11H12ClNO/c1-7(14)9-5-8-3-4-13(2)11(8)10(12)6-9/h5-6H,3-4H2,1-2H3
InChIKeyAEAPAQDBNIWPOC-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.53
Rot. Bonds1

About 1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone

1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone (PubChem CID 83884756) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone
PubChem CID83884756
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone
SMILESCC(=O)c1cc(Cl)c2c(c1)CCN2C
InChIInChI=1S/C11H12ClNO/c1-7(14)9-5-8-3-4-13(2)11(8)10(12)6-9/h5-6H,3-4H2,1-2H3
InChIKeyAEAPAQDBNIWPOC-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline
CID 58331978
1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone
CID 63778379
1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone
CID 82540878
1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone
CID 82105974
1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone
CID 82536649
6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride
CID 171787810
4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one
CID 64693225
ethyl (E)-3-(8-chloro-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-fluorobut-2-enoate
CID 22091370
methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate
CID 82479218
1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 82483275
8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid
CID 96599843

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone?
The IUPAC name of 1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone (CID 83884756) is 1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone?
The canonical SMILES for 1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone is CC(=O)c1cc(Cl)c2c(c1)CCN2C.
What is the InChIKey of 1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone?
The InChIKey is AEAPAQDBNIWPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7(14)9-5-8-3-4-13(2)11(8)10(12)6-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone?
1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone has a molecular weight of 209.68 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone is sourced from PubChem (CID 83884756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).