6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride

C8H9Cl2NO2 — CID 86611692

IUPAC6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
SMILESCl.O.O=C1Cc2ccc(Cl)cc2N1
InChIInChI=1S/C8H6ClNO.ClH.H2O/c9-6-2-1-5-3-8(11)10-7(5)4-6;;/h1-2,4H,3H2,(H,10,11);1H;1H2
InChIKeyNELRPAAUWCMBSD-UHFFFAOYSA-N
MW222.07 g/mol
LogP1.43
Rot. Bonds

About 6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride

6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride (PubChem CID 86611692) has the molecular formula C8H9Cl2NO2 and a molecular weight of 222.07 g/mol. Its IUPAC name is 6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride.

Molecular Properties

Compound Name6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
PubChem CID86611692
Molecular FormulaC8H9Cl2NO2
Molecular Weight222.07 g/mol
Exact Mass221.00
IUPAC Name6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
SMILESCl.O.O=C1Cc2ccc(Cl)cc2N1
InChIInChI=1S/C8H6ClNO.ClH.H2O/c9-6-2-1-5-3-8(11)10-7(5)4-6;;/h1-2,4H,3H2,(H,10,11);1H;1H2
InChIKeyNELRPAAUWCMBSD-UHFFFAOYSA-N
XLogP1.43
TPSA60.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-oxo-1,3-dihydroindole-6-carbonyl chloride
CID 141361971
6-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1,3-dihydroindol-2-one
CID 149279914
6-phenyl-1,3-dihydroindol-2-one
CID 10536384
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
6-chloro-4-fluoro-1,3-dihydroindol-2-one
CID 66634278
6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen
CID 162521220
7-chloro-1,4-dihydro-3,1-benzoxazin-2-one
CID 84769220
6-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 68878128
6-(1-hydroxycyclopropyl)-1,3-dihydroindol-2-one
CID 117281439
6-benzoyl-1,3-dihydroindol-2-one
CID 13408231
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide
CID 167835849

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride?
The IUPAC name of 6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride (CID 86611692) is 6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride.
What is the SMILES notation for 6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride?
The canonical SMILES for 6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride is Cl.O.O=C1Cc2ccc(Cl)cc2N1.
What is the InChIKey of 6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride?
The InChIKey is NELRPAAUWCMBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO.ClH.H2O/c9-6-2-1-5-3-8(11)10-7(5)4-6;;/h1-2,4H,3H2,(H,10,11);1H;1H2.
What are the key properties of 6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride?
6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride has a molecular weight of 222.07 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride is sourced from PubChem (CID 86611692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).