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

C16H23NO2 — CID 82172640

IUPAC5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCCCCC(O)c1cc(CC)cc2c1NC(=O)C2C
InChIInChI=1S/C16H23NO2/c1-4-6-7-14(18)13-9-11(5-2)8-12-10(3)16(19)17-15(12)13/h8-10,14,18H,4-7H2,1-3H3,(H,17,19)
InChIKeyNQYNRXABTCGDAY-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.53
Rot. Bonds5

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

5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82172640) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
PubChem CID82172640
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCCCCC(O)c1cc(CC)cc2c1NC(=O)C2C
InChIInChI=1S/C16H23NO2/c1-4-6-7-14(18)13-9-11(5-2)8-12-10(3)16(19)17-15(12)13/h8-10,14,18H,4-7H2,1-3H3,(H,17,19)
InChIKeyNQYNRXABTCGDAY-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one
CID 82172672
5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82172787
7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one
CID 82172621
7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
CID 82173571
5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one
CID 82173417
7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172449
5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one
CID 82172936
7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172491
7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172446
7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one
CID 82104894
7-[amino-(4-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172666
5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82173824

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one (CID 82172640) is 5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one is CCCCC(O)c1cc(CC)cc2c1NC(=O)C2C.
What is the InChIKey of 5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is NQYNRXABTCGDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-6-7-14(18)13-9-11(5-2)8-12-10(3)16(19)17-15(12)13/h8-10,14,18H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one?
5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 261.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).