3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one

C15H17NO4 — CID 2871826

IUPAC3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one
SMILESCC1(C)CC(=O)C(C2(O)C(=O)Nc3ccccc32)CO1
InChIInChI=1S/C15H17NO4/c1-14(2)7-12(17)10(8-20-14)15(19)9-5-3-4-6-11(9)16-13(15)18/h3-6,10,19H,7-8H2,1-2H3,(H,16,18)
InChIKeyKZVVSRYIOMVFDW-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.21
Rot. Bonds1

About 3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one

3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one (PubChem CID 2871826) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one
PubChem CID2871826
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one
SMILESCC1(C)CC(=O)C(C2(O)C(=O)Nc3ccccc32)CO1
InChIInChI=1S/C15H17NO4/c1-14(2)7-12(17)10(8-20-14)15(19)9-5-3-4-6-11(9)16-13(15)18/h3-6,10,19H,7-8H2,1-2H3,(H,16,18)
InChIKeyKZVVSRYIOMVFDW-UHFFFAOYSA-N
XLogP1.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one (CID 2871826) is 3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one is CC1(C)CC(=O)C(C2(O)C(=O)Nc3ccccc32)CO1.
What is the InChIKey of 3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one?
The InChIKey is KZVVSRYIOMVFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-14(2)7-12(17)10(8-20-14)15(19)9-5-3-4-6-11(9)16-13(15)18/h3-6,10,19H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one?
3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one has a molecular weight of 275.30 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 2871826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).