(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one

C19H17NO5 — CID 1300298

IUPAC(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one
SMILESCc1ccc2c(c1C)NC(=O)[C@@]2(O)CC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H17NO5/c1-10-3-5-13-17(11(10)2)20-18(22)19(13,23)8-14(21)12-4-6-15-16(7-12)25-9-24-15/h3-7,23H,8-9H2,1-2H3,(H,20,22)/t19-/m1/s1
InChIKeyOWUIEAJPRRHQPQ-LJQANCHMSA-N
MW339.35 g/mol
LogP2.44
Rot. Bonds3

About (3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one

(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one (PubChem CID 1300298) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is (3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one
PubChem CID1300298
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one
SMILESCc1ccc2c(c1C)NC(=O)[C@@]2(O)CC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H17NO5/c1-10-3-5-13-17(11(10)2)20-18(22)19(13,23)8-14(21)12-4-6-15-16(7-12)25-9-24-15/h3-7,23H,8-9H2,1-2H3,(H,20,22)/t19-/m1/s1
InChIKeyOWUIEAJPRRHQPQ-LJQANCHMSA-N
XLogP2.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one with MolForge

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Related Compounds

(3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 7275803
(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-butyl-3-hydroxyindol-2-one
CID 7281165
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 3696835
(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-[(2-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 42558789
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ylmethyl)indol-2-one
CID 17078154
(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 796109
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one
CID 1287153
(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 1287714
1-(1,3-benzodioxol-5-yl)-4-methylpentane-1,3-dione
CID 63319607
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethanone
CID 82112937
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
CID 17131930
2-[(1S,3S,3aR,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-6',7'-dimethyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 26883465

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one?
The IUPAC name of (3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one (CID 1300298) is (3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one.
What is the SMILES notation for (3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one?
The canonical SMILES for (3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one is Cc1ccc2c(c1C)NC(=O)[C@@]2(O)CC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of (3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one?
The InChIKey is OWUIEAJPRRHQPQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17NO5/c1-10-3-5-13-17(11(10)2)20-18(22)19(13,23)8-14(21)12-4-6-15-16(7-12)25-9-24-15/h3-7,23H,8-9H2,1-2H3,(H,20,22)/t19-/m1/s1.
What are the key properties of (3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one?
(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one has a molecular weight of 339.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one is sourced from PubChem (CID 1300298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).