5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one

C18H15NO4 — CID 164994429

IUPAC5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one
SMILESO=C(Cc1ccc2c(c1)CC(=O)N2)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H15NO4/c20-14(7-12-2-4-16-17(8-12)23-10-22-16)6-11-1-3-15-13(5-11)9-18(21)19-15/h1-5,8H,6-7,9-10H2,(H,19,21)
InChIKeyHIQHBQVGMKFVFD-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.26
Rot. Bonds4

About 5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one

5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one (PubChem CID 164994429) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one
PubChem CID164994429
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one
SMILESO=C(Cc1ccc2c(c1)CC(=O)N2)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H15NO4/c20-14(7-12-2-4-16-17(8-12)23-10-22-16)6-11-1-3-15-13(5-11)9-18(21)19-15/h1-5,8H,6-7,9-10H2,(H,19,21)
InChIKeyHIQHBQVGMKFVFD-UHFFFAOYSA-N
XLogP2.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915
N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116844796
5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one
CID 155113907
N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110371283
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
CID 82301093
2-(2-oxo-1,3-dihydroindol-5-yl)-N-prop-2-enylacetamide
CID 110768065
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
2-(1,3-benzodioxol-5-yl)acetic acid;hydrochloride
CID 67706541
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
N-[2-(4-fluorophenyl)ethyl]-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110768108

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one (CID 164994429) is 5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one is O=C(Cc1ccc2c(c1)CC(=O)N2)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one?
The InChIKey is HIQHBQVGMKFVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-14(7-12-2-4-16-17(8-12)23-10-22-16)6-11-1-3-15-13(5-11)9-18(21)19-15/h1-5,8H,6-7,9-10H2,(H,19,21).
What are the key properties of 5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one?
5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one has a molecular weight of 309.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 164994429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).