5-(1-chloroethyl)-1H-indole

C10H10ClN — CID 174700849

IUPAC5-(1-chloroethyl)-1H-indole
SMILESCC(Cl)c1ccc2[nH]ccc2c1
InChIInChI=1S/C10H10ClN/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-7,12H,1H3
InChIKeyKXWMHATUGBNTKH-UHFFFAOYSA-N
MW179.65 g/mol
LogP3.47
Rot. Bonds1

About 5-(1-chloroethyl)-1H-indole

5-(1-chloroethyl)-1H-indole (PubChem CID 174700849) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is 5-(1-chloroethyl)-1H-indole.

Molecular Properties

Compound Name5-(1-chloroethyl)-1H-indole
PubChem CID174700849
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name5-(1-chloroethyl)-1H-indole
SMILESCC(Cl)c1ccc2[nH]ccc2c1
InChIInChI=1S/C10H10ClN/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-7,12H,1H3
InChIKeyKXWMHATUGBNTKH-UHFFFAOYSA-N
XLogP3.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-propan-2-yl-1H-indole
CID 10558918
(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552
5-butan-2-yl-1H-indole;molecular hydrogen
CID 144711250
2-(1H-indol-5-yl)propanamide
CID 140559721
3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole
CID 178169617
1-(1H-indol-5-yl)-2-methoxyethanamine
CID 55270804
(4-fluorophenyl)-(1H-indol-5-yl)methanol
CID 81444818
1H-indol-5-yl(phenyl)methanol
CID 19042833
(2R)-2-amino-2-(1H-indol-5-yl)acetonitrile
CID 131106135
methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate
CID 131526259
1-(1H-indol-5-yl)heptan-1-ol
CID 81444731
5-propan-2-yloxy-1H-indole
CID 16738054

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-1H-indole?
The IUPAC name of 5-(1-chloroethyl)-1H-indole (CID 174700849) is 5-(1-chloroethyl)-1H-indole.
What is the SMILES notation for 5-(1-chloroethyl)-1H-indole?
The canonical SMILES for 5-(1-chloroethyl)-1H-indole is CC(Cl)c1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(1-chloroethyl)-1H-indole?
The InChIKey is KXWMHATUGBNTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-7,12H,1H3.
What are the key properties of 5-(1-chloroethyl)-1H-indole?
5-(1-chloroethyl)-1H-indole has a molecular weight of 179.65 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-1H-indole is sourced from PubChem (CID 174700849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).