7-chloroindol-2-one

C8H4ClNO — CID 154457402

IUPAC7-chloroindol-2-one
SMILESO=C1C=c2cccc(Cl)c2=N1
InChIInChI=1S/C8H4ClNO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-4H
InChIKeyXKHMWABBTCQWBN-UHFFFAOYSA-N
MW165.58 g/mol
LogP0.28
Rot. Bonds

About 7-chloroindol-2-one

7-chloroindol-2-one (PubChem CID 154457402) has the molecular formula C8H4ClNO and a molecular weight of 165.58 g/mol. Its IUPAC name is 7-chloroindol-2-one.

Molecular Properties

Compound Name7-chloroindol-2-one
PubChem CID154457402
Molecular FormulaC8H4ClNO
Molecular Weight165.58 g/mol
Exact Mass165.00
IUPAC Name7-chloroindol-2-one
SMILESO=C1C=c2cccc(Cl)c2=N1
InChIInChI=1S/C8H4ClNO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-4H
InChIKeyXKHMWABBTCQWBN-UHFFFAOYSA-N
XLogP0.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.58
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Indol-2-one
CID 17904787
Fluoro-indolone
CID 54356889
5-Chloroindole-2-one
CID 20284810
6-Chloroindole-2-one
CID 46739848
3-Methyl-oxoindole
CID 21477845
Cyclopenta-(b)-pyridinone
CID 129707027
6-(Fluoromethyl)indol-2-one
CID 20284781
6-Fluoroindol-2-one
CID 45108281
5-Fluoro-2-oxo-indole
CID 46739847
7-Fluoroindol-2-one
CID 46739858
4-Fluoro-2H-indol-2-one
CID 46739859
3-Chloro-5-fluoroindol-2-one
CID 141758677

Frequently Asked Questions

What is the IUPAC name of 7-chloroindol-2-one?
The IUPAC name of 7-chloroindol-2-one (CID 154457402) is 7-chloroindol-2-one.
What is the SMILES notation for 7-chloroindol-2-one?
The canonical SMILES for 7-chloroindol-2-one is O=C1C=c2cccc(Cl)c2=N1.
What is the InChIKey of 7-chloroindol-2-one?
The InChIKey is XKHMWABBTCQWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-4H.
What are the key properties of 7-chloroindol-2-one?
7-chloroindol-2-one has a molecular weight of 165.58 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloroindol-2-one is sourced from PubChem (CID 154457402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).