1-(7-chloroindol-1-yl)ethanone

C10H8ClNO — CID 13310386

IUPAC1-(7-chloroindol-1-yl)ethanone
SMILESCC(=O)n1ccc2cccc(Cl)c21
InChIInChI=1S/C10H8ClNO/c1-7(13)12-6-5-8-3-2-4-9(11)10(8)12/h2-6H,1H3
InChIKeyTUGOKAAMTZRALU-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.95
Rot. Bonds

About 1-(7-chloroindol-1-yl)ethanone

1-(7-chloroindol-1-yl)ethanone (PubChem CID 13310386) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 1-(7-chloroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloroindol-1-yl)ethanone
PubChem CID13310386
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name1-(7-chloroindol-1-yl)ethanone
SMILESCC(=O)n1ccc2cccc(Cl)c21
InChIInChI=1S/C10H8ClNO/c1-7(13)12-6-5-8-3-2-4-9(11)10(8)12/h2-6H,1H3
InChIKeyTUGOKAAMTZRALU-UHFFFAOYSA-N
XLogP2.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroindol-1-yl)ethanone?
The IUPAC name of 1-(7-chloroindol-1-yl)ethanone (CID 13310386) is 1-(7-chloroindol-1-yl)ethanone.
What is the SMILES notation for 1-(7-chloroindol-1-yl)ethanone?
The canonical SMILES for 1-(7-chloroindol-1-yl)ethanone is CC(=O)n1ccc2cccc(Cl)c21.
What is the InChIKey of 1-(7-chloroindol-1-yl)ethanone?
The InChIKey is TUGOKAAMTZRALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-7(13)12-6-5-8-3-2-4-9(11)10(8)12/h2-6H,1H3.
What are the key properties of 1-(7-chloroindol-1-yl)ethanone?
1-(7-chloroindol-1-yl)ethanone has a molecular weight of 193.63 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroindol-1-yl)ethanone is sourced from PubChem (CID 13310386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).