1-(chloromethyl)-2,3-dihydroindole

C9H10ClN — CID 59108457

IUPAC1-(chloromethyl)-2,3-dihydroindole
SMILESClCN1CCc2ccccc21
InChIInChI=1S/C9H10ClN/c10-7-11-6-5-8-3-1-2-4-9(8)11/h1-4H,5-7H2
InChIKeyJZRQXGMWWWTWGW-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.25
Rot. Bonds1

About 1-(chloromethyl)-2,3-dihydroindole

1-(chloromethyl)-2,3-dihydroindole (PubChem CID 59108457) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 1-(chloromethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(chloromethyl)-2,3-dihydroindole
PubChem CID59108457
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name1-(chloromethyl)-2,3-dihydroindole
SMILESClCN1CCc2ccccc21
InChIInChI=1S/C9H10ClN/c10-7-11-6-5-8-3-1-2-4-9(8)11/h1-4H,5-7H2
InChIKeyJZRQXGMWWWTWGW-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
CID 16793024
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
3-(2,3-dihydroindol-1-yl)-2-methylpropan-1-amine
CID 43174926
1-butyl-2,3-dihydroindole
CID 4167209
2,3-dihydroindol-1-ylmethylphosphonic acid
CID 53215241
1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2,3-dihydroindole?
The IUPAC name of 1-(chloromethyl)-2,3-dihydroindole (CID 59108457) is 1-(chloromethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(chloromethyl)-2,3-dihydroindole?
The canonical SMILES for 1-(chloromethyl)-2,3-dihydroindole is ClCN1CCc2ccccc21.
What is the InChIKey of 1-(chloromethyl)-2,3-dihydroindole?
The InChIKey is JZRQXGMWWWTWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-7-11-6-5-8-3-1-2-4-9(8)11/h1-4H,5-7H2.
What are the key properties of 1-(chloromethyl)-2,3-dihydroindole?
1-(chloromethyl)-2,3-dihydroindole has a molecular weight of 167.64 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2,3-dihydroindole is sourced from PubChem (CID 59108457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).