3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one

C18H15NO5 — CID 2950464

IUPAC3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)C(O)(CC(=O)c1ccc3c(c1)OCO3)C(=O)N2
InChIInChI=1S/C18H15NO5/c1-10-2-4-13-12(6-10)18(22,17(21)19-13)8-14(20)11-3-5-15-16(7-11)24-9-23-15/h2-7,22H,8-9H2,1H3,(H,19,21)
InChIKeyRHYCGIWSNUGULU-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.14
Rot. Bonds3

About 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one

3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one (PubChem CID 2950464) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
PubChem CID2950464
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)C(O)(CC(=O)c1ccc3c(c1)OCO3)C(=O)N2
InChIInChI=1S/C18H15NO5/c1-10-2-4-13-12(6-10)18(22,17(21)19-13)8-14(20)11-3-5-15-16(7-11)24-9-23-15/h2-7,22H,8-9H2,1H3,(H,19,21)
InChIKeyRHYCGIWSNUGULU-UHFFFAOYSA-N
XLogP2.14
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3Hoi-BA-01
CID 5902454
(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
3-[4-(1,3-benzodioxol-5-yl)-2-oxo-3-butenyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 5733994
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one
CID 2940121
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 304906
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1,3-dihydro-2H-indol-2-one
CID 2960921
1-(1,3-Benzodioxol-5-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-indolone
CID 646082
3-Hydroxy-3-(5-methoxy-1-oxo-indan-2-yl)-1,3-dihydro-indol-2-one
CID 652232
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one
CID 2909007
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-(3,4-dimethoxybenzyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2955584
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one
CID 2968465
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(2-methyl-2-propen-1-yl)-1,3-dihydro-2H-indol-2-one
CID 2977413

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
The IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one (CID 2950464) is 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one.
What is the SMILES notation for 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
The canonical SMILES for 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one is Cc1ccc2c(c1)C(O)(CC(=O)c1ccc3c(c1)OCO3)C(=O)N2.
What is the InChIKey of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
The InChIKey is RHYCGIWSNUGULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-10-2-4-13-12(6-10)18(22,17(21)19-13)8-14(20)11-3-5-15-16(7-11)24-9-23-15/h2-7,22H,8-9H2,1H3,(H,19,21).
What are the key properties of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one has a molecular weight of 325.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one is sourced from PubChem (CID 2950464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).