6-chloro-5-methyl-2,3-dihydro-1H-indole

C9H10ClN — CID 22186080

IUPAC6-chloro-5-methyl-2,3-dihydro-1H-indole
SMILESCc1cc2c(cc1Cl)NCC2
InChIInChI=1S/C9H10ClN/c1-6-4-7-2-3-11-9(7)5-8(6)10/h4-5,11H,2-3H2,1H3
InChIKeyZAMJLADJGLXVOJ-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.62
Rot. Bonds

About 6-chloro-5-methyl-2,3-dihydro-1H-indole

6-chloro-5-methyl-2,3-dihydro-1H-indole (PubChem CID 22186080) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 6-chloro-5-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-chloro-5-methyl-2,3-dihydro-1H-indole
PubChem CID22186080
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name6-chloro-5-methyl-2,3-dihydro-1H-indole
SMILESCc1cc2c(cc1Cl)NCC2
InChIInChI=1S/C9H10ClN/c1-6-4-7-2-3-11-9(7)5-8(6)10/h4-5,11H,2-3H2,1H3
InChIKeyZAMJLADJGLXVOJ-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 6-chloro-5-methyl-2,3-dihydro-1H-indole (CID 22186080) is 6-chloro-5-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-chloro-5-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 6-chloro-5-methyl-2,3-dihydro-1H-indole is Cc1cc2c(cc1Cl)NCC2.
What is the InChIKey of 6-chloro-5-methyl-2,3-dihydro-1H-indole?
The InChIKey is ZAMJLADJGLXVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c1-6-4-7-2-3-11-9(7)5-8(6)10/h4-5,11H,2-3H2,1H3.
What are the key properties of 6-chloro-5-methyl-2,3-dihydro-1H-indole?
6-chloro-5-methyl-2,3-dihydro-1H-indole has a molecular weight of 167.64 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 22186080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).