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

C13H17NO2 — CID 82172222

IUPAC3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
SMILESCCC(O)c1ccc2c(c1)C(CC)C(=O)N2
InChIInChI=1S/C13H17NO2/c1-3-9-10-7-8(12(15)4-2)5-6-11(10)14-13(9)16/h5-7,9,12,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyFAWOLGNJPLDNSS-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.58
Rot. Bonds3

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

3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one (PubChem CID 82172222) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
PubChem CID82172222
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
SMILESCCC(O)c1ccc2c(c1)C(CC)C(=O)N2
InChIInChI=1S/C13H17NO2/c1-3-9-10-7-8(12(15)4-2)5-6-11(10)14-13(9)16/h5-7,9,12,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyFAWOLGNJPLDNSS-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one (CID 82172222) is 3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one is CCC(O)c1ccc2c(c1)C(CC)C(=O)N2.
What is the InChIKey of 3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one?
The InChIKey is FAWOLGNJPLDNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-9-10-7-8(12(15)4-2)5-6-11(10)14-13(9)16/h5-7,9,12,15H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one?
3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).