3,3-dichloro-1H-indol-2-one

C8H5Cl2NO — CID 719018

IUPAC3,3-dichloro-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(Cl)Cl
InChIInChI=1S/C8H5Cl2NO/c9-8(10)5-3-1-2-4-6(5)11-7(8)12/h1-4H,(H,11,12)
InChIKeyWGGLCBPNOIWKDL-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.27
Rot. Bonds

About 3,3-dichloro-1H-indol-2-one

3,3-dichloro-1H-indol-2-one (PubChem CID 719018) has the molecular formula C8H5Cl2NO and a molecular weight of 202.04 g/mol. Its IUPAC name is 3,3-dichloro-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dichloro-1H-indol-2-one
PubChem CID719018
Molecular FormulaC8H5Cl2NO
Molecular Weight202.04 g/mol
Exact Mass200.97
IUPAC Name3,3-dichloro-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(Cl)Cl
InChIInChI=1S/C8H5Cl2NO/c9-8(10)5-3-1-2-4-6(5)11-7(8)12/h1-4H,(H,11,12)
InChIKeyWGGLCBPNOIWKDL-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
CID 146949857
CID 146949857
spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
CID 15554858
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
(3R)-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
CID 7102076
3,3-dimethoxy-1H-indol-2-one;ethane
CID 54484011
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
(3R)-3-amino-3-ethenyl-1H-indol-2-one
CID 130731413
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
9,9'-spirobi[10H-acridine]
CID 11210173
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-1H-indol-2-one?
The IUPAC name of 3,3-dichloro-1H-indol-2-one (CID 719018) is 3,3-dichloro-1H-indol-2-one.
What is the SMILES notation for 3,3-dichloro-1H-indol-2-one?
The canonical SMILES for 3,3-dichloro-1H-indol-2-one is O=C1Nc2ccccc2C1(Cl)Cl.
What is the InChIKey of 3,3-dichloro-1H-indol-2-one?
The InChIKey is WGGLCBPNOIWKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO/c9-8(10)5-3-1-2-4-6(5)11-7(8)12/h1-4H,(H,11,12).
What are the key properties of 3,3-dichloro-1H-indol-2-one?
3,3-dichloro-1H-indol-2-one has a molecular weight of 202.04 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-1H-indol-2-one is sourced from PubChem (CID 719018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).