3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one

C16H23NO2 — CID 82172672

IUPAC3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one
SMILESCCCC(O)c1cc(CC)cc2c1NC(=O)C2CC
InChIInChI=1S/C16H23NO2/c1-4-7-14(18)13-9-10(5-2)8-12-11(6-3)16(19)17-15(12)13/h8-9,11,14,18H,4-7H2,1-3H3,(H,17,19)
InChIKeyCBXROOGBJUGFGZ-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.53
Rot. Bonds5

About 3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one

3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one (PubChem CID 82172672) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one
PubChem CID82172672
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one
SMILESCCCC(O)c1cc(CC)cc2c1NC(=O)C2CC
InChIInChI=1S/C16H23NO2/c1-4-7-14(18)13-9-10(5-2)8-12-11(6-3)16(19)17-15(12)13/h8-9,11,14,18H,4-7H2,1-3H3,(H,17,19)
InChIKeyCBXROOGBJUGFGZ-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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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one (CID 82172672) is 3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one is CCCC(O)c1cc(CC)cc2c1NC(=O)C2CC.
What is the InChIKey of 3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one?
The InChIKey is CBXROOGBJUGFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-7-14(18)13-9-10(5-2)8-12-11(6-3)16(19)17-15(12)13/h8-9,11,14,18H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one?
3,5-diethyl-7-(1-hydroxybutyl)-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 3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).