7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one

C13H16ClNO2 — CID 82173752

IUPAC7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
SMILESCCC(O)c1cc(Cl)c2c(c1)C(CC)C(=O)N2
InChIInChI=1S/C13H16ClNO2/c1-3-8-9-5-7(11(16)4-2)6-10(14)12(9)15-13(8)17/h5-6,8,11,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyPFIIKQVEOQOYJY-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.23
Rot. Bonds3

About 7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one

7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one (PubChem CID 82173752) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
PubChem CID82173752
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
SMILESCCC(O)c1cc(Cl)c2c(c1)C(CC)C(=O)N2
InChIInChI=1S/C13H16ClNO2/c1-3-8-9-5-7(11(16)4-2)6-10(14)12(9)15-13(8)17/h5-6,8,11,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyPFIIKQVEOQOYJY-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82172222
5-(2-aminoethyl)-7-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82190581
5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 82173438
6-chloro-3-ethyl-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
CID 82173855
5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173622
7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82190658
7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82173429
3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one
CID 82172672
5-(1-amino-2-methylpropyl)-3,7-diethyl-1,3-dihydroindol-2-one
CID 82172974
3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173135
5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one
CID 106986700
3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172845

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one (CID 82173752) is 7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one is CCC(O)c1cc(Cl)c2c(c1)C(CC)C(=O)N2.
What is the InChIKey of 7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one?
The InChIKey is PFIIKQVEOQOYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-3-8-9-5-7(11(16)4-2)6-10(14)12(9)15-13(8)17/h5-6,8,11,16H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one?
7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one has a molecular weight of 253.73 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).