1-(6-chloro-1H-indol-3-yl)ethanone

C10H8ClNO — CID 22627172

IUPAC1-(6-chloro-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H8ClNO/c1-6(13)9-5-12-10-4-7(11)2-3-8(9)10/h2-5,12H,1H3
InChIKeyKQLYMFKKPNNGQR-UHFFFAOYSA-N
MW193.63 g/mol
LogP3.02
Rot. Bonds1

About 1-(6-chloro-1H-indol-3-yl)ethanone

1-(6-chloro-1H-indol-3-yl)ethanone (PubChem CID 22627172) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 1-(6-chloro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-1H-indol-3-yl)ethanone
PubChem CID22627172
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name1-(6-chloro-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H8ClNO/c1-6(13)9-5-12-10-4-7(11)2-3-8(9)10/h2-5,12H,1H3
InChIKeyKQLYMFKKPNNGQR-UHFFFAOYSA-N
XLogP3.02
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indole-3-Carboxaldehyde
CID 10256
Jwh 203
CID 44397500
3-Acetylindole
CID 12802
1H-indole-3-carboxamide
CID 2192542
2-(4-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397532
Indole, 3-(dimethylaminoacetyl)-
CID 34863
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
2-Chloro-1-(2-methyl-1H-indol-3-yl)ethanone
CID 723221
3-(3-Dimethylaminopropionyl)indole
CID 32750
Indole, 3-((diethylamino)acetyl)-
CID 56375
Oncrasin 1
CID 872445
2-chloro-1-(1-methyl-1H-indol-3-yl)ethan-1-one
CID 934321

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(6-chloro-1H-indol-3-yl)ethanone (CID 22627172) is 1-(6-chloro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(6-chloro-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(6-chloro-1H-indol-3-yl)ethanone is CC(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 1-(6-chloro-1H-indol-3-yl)ethanone?
The InChIKey is KQLYMFKKPNNGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-6(13)9-5-12-10-4-7(11)2-3-8(9)10/h2-5,12H,1H3.
What are the key properties of 1-(6-chloro-1H-indol-3-yl)ethanone?
1-(6-chloro-1H-indol-3-yl)ethanone has a molecular weight of 193.63 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 22627172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).