7-chloro-2,3-dihydro-1H-indole

C8H8ClN — CID 11084082

IUPAC7-chloro-2,3-dihydro-1H-indole
SMILESC1CNC2=C1C=CC=C2Cl
InChIInChI=1S/C8H8ClN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3,10H,4-5H2
InChIKeyOMPUMOUPCGQKNM-UHFFFAOYSA-N
MW153.61 g/mol
LogP2.60
Rot. Bonds

About 7-chloro-2,3-dihydro-1H-indole

7-chloro-2,3-dihydro-1H-indole (PubChem CID 11084082) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 7-chloro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-chloro-2,3-dihydro-1H-indole
PubChem CID11084082
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name7-chloro-2,3-dihydro-1H-indole
SMILESC1CNC2=C1C=CC=C2Cl
InChIInChI=1S/C8H8ClN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3,10H,4-5H2
InChIKeyOMPUMOUPCGQKNM-UHFFFAOYSA-N
XLogP2.60
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity126

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-chloro-2,3-dihydro-1H-indole 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

Indoline
CID 10328
5-Chloroindoline
CID 117596
7-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole
CID 13869753
1H-Indole, 4,5-dichloro-2,3-dihydro-
CID 18940894
8-Chloro-1,2,3,4-tetrahydroquinoline
CID 13219443
1-Methyl-5-chloroindoline methylbromide
CID 36077
4-Chloroindoline
CID 3016306
6-chloro-3,3-dimethyl-2,3-dihydro-1H-indole
CID 20446874
[3-(5-Chloro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 13324725
6,7-dichloro-2,3-dihydro-1H-indole
CID 16788296
8-Chloro-6-fluoro-1,2,3,4-tetrahydroquinoline
CID 16794466
6-chloro-2,3-dihydro-1H-indole hydrochloride
CID 18932875

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dihydro-1H-indole?
The IUPAC name of 7-chloro-2,3-dihydro-1H-indole (CID 11084082) is 7-chloro-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-chloro-2,3-dihydro-1H-indole?
The canonical SMILES for 7-chloro-2,3-dihydro-1H-indole is C1CNC2=C1C=CC=C2Cl.
What is the InChIKey of 7-chloro-2,3-dihydro-1H-indole?
The InChIKey is OMPUMOUPCGQKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3,10H,4-5H2.
What are the key properties of 7-chloro-2,3-dihydro-1H-indole?
7-chloro-2,3-dihydro-1H-indole has a molecular weight of 153.61 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydro-1H-indole is sourced from PubChem (CID 11084082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).