5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one

C15H21NO2 — CID 82172787

IUPAC5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one
SMILESCCCCC(O)c1cc(C)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C15H21NO2/c1-4-5-6-13(17)11-7-9(2)14-12(8-11)10(3)15(18)16-14/h7-8,10,13,17H,4-6H2,1-3H3,(H,16,18)
InChIKeyQRJATIFLXSXTGF-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.27
Rot. Bonds4

About 5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one

5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82172787) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one
PubChem CID82172787
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one
SMILESCCCCC(O)c1cc(C)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C15H21NO2/c1-4-5-6-13(17)11-7-9(2)14-12(8-11)10(3)15(18)16-14/h7-8,10,13,17H,4-6H2,1-3H3,(H,16,18)
InChIKeyQRJATIFLXSXTGF-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
CID 82173571
5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
CID 82172640
5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82172765
5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one
CID 82172936
5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82173710
7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172449
3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172845
7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173579
5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82173824
7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82173752
5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173416
7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172491

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one (CID 82172787) is 5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one is CCCCC(O)c1cc(C)c2c(c1)C(C)C(=O)N2.
What is the InChIKey of 5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is QRJATIFLXSXTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-5-6-13(17)11-7-9(2)14-12(8-11)10(3)15(18)16-14/h7-8,10,13,17H,4-6H2,1-3H3,(H,16,18).
What are the key properties of 5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one?
5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 247.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).