6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one

C13H16ClNO2 — CID 82173804

IUPAC6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
SMILESCCCC(O)c1cc2c(c(C)c1Cl)NC(=O)C2
InChIInChI=1S/C13H16ClNO2/c1-3-4-10(16)9-5-8-6-11(17)15-13(8)7(2)12(9)14/h5,10,16H,3-4,6H2,1-2H3,(H,15,17)
InChIKeyDZJOQQCQKXLAKI-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.98
Rot. Bonds3

About 6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one

6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one (PubChem CID 82173804) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
PubChem CID82173804
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
SMILESCCCC(O)c1cc2c(c(C)c1Cl)NC(=O)C2
InChIInChI=1S/C13H16ClNO2/c1-3-4-10(16)9-5-8-6-11(17)15-13(8)7(2)12(9)14/h5,10,16H,3-4,6H2,1-2H3,(H,15,17)
InChIKeyDZJOQQCQKXLAKI-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173058
7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174111
6-chloro-5-(1-hydroxybutyl)-3,3,7-trimethyl-1H-indol-2-one
CID 82173873
6-chloro-3-ethyl-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
CID 82173855
5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one
CID 82190727
6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174296
5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173078
7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82173521
6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one
CID 61083654
5-chloro-7-(1-hydroxybutyl)-3,3-dimethyl-1H-indol-2-one
CID 82173457
7-ethyl-5-methyl-1,3-dihydroindol-2-one
CID 142337583
7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82172426

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one (CID 82173804) is 6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one is CCCC(O)c1cc2c(c(C)c1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is DZJOQQCQKXLAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-3-4-10(16)9-5-8-6-11(17)15-13(8)7(2)12(9)14/h5,10,16H,3-4,6H2,1-2H3,(H,15,17).
What are the key properties of 6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one?
6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 253.73 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).