2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone

C13H14ClNO — CID 935993

IUPAC2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone
SMILESCc1ccc2c(C(=O)CCl)c(C)n(C)c2c1
InChIInChI=1S/C13H14ClNO/c1-8-4-5-10-11(6-8)15(3)9(2)13(10)12(16)7-14/h4-6H,7H2,1-3H3
InChIKeyOMQZVNZNAUJTEN-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.22
Rot. Bonds2

About 2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone

2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone (PubChem CID 935993) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone
PubChem CID935993
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone
SMILESCc1ccc2c(C(=O)CCl)c(C)n(C)c2c1
InChIInChI=1S/C13H14ClNO/c1-8-4-5-10-11(6-8)15(3)9(2)13(10)12(16)7-14/h4-6H,7H2,1-3H3
InChIKeyOMQZVNZNAUJTEN-UHFFFAOYSA-N
XLogP3.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone
CID 82661041
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone
CID 52905102
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol
CID 82493660
6-methoxy-1,2-dimethylindole-3-carboxamide
CID 71165672
3-(1,2,6-trimethylindol-3-yl)propan-1-amine
CID 82493187
1,2-dimethyl-6-nitroindole-3-carboxylic acid
CID 105493943
1,2,5-trimethyl-N-[(E)-4-oxopent-2-enyl]indole-3-carboxamide
CID 118667765
2-chloro-1-[1-(4-chlorophenyl)-2-methyl-6-(oxetan-3-ylmethyl)indol-3-yl]ethanone
CID 146979641
3-bromo-2-ethyl-1,6-dimethylindole
CID 84707620
6-hydroxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide
CID 22143555

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone?
The IUPAC name of 2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone (CID 935993) is 2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone?
The canonical SMILES for 2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone is Cc1ccc2c(C(=O)CCl)c(C)n(C)c2c1.
What is the InChIKey of 2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone?
The InChIKey is OMQZVNZNAUJTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-8-4-5-10-11(6-8)15(3)9(2)13(10)12(16)7-14/h4-6H,7H2,1-3H3.
What are the key properties of 2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone?
2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone has a molecular weight of 235.71 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone is sourced from PubChem (CID 935993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).