3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one

C11H15NO3 — CID 76851187

IUPAC3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one
SMILESCC(C)N1CC(O)C2=CC(=O)C(O)C=C21
InChIInChI=1S/C11H15NO3/c1-6(2)12-5-11(15)7-3-9(13)10(14)4-8(7)12/h3-4,6,10-11,14-15H,5H2,1-2H3
InChIKeyDBLMAPRCGDJLRA-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.17
Rot. Bonds1

About 3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one

3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one (PubChem CID 76851187) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one.

Molecular Properties

Compound Name3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one
PubChem CID76851187
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one
SMILESCC(C)N1CC(O)C2=CC(=O)C(O)C=C21
InChIInChI=1S/C11H15NO3/c1-6(2)12-5-11(15)7-3-9(13)10(14)4-8(7)12/h3-4,6,10-11,14-15H,5H2,1-2H3
InChIKeyDBLMAPRCGDJLRA-UHFFFAOYSA-N
XLogP-0.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one?
The IUPAC name of 3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one (CID 76851187) is 3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one.
What is the SMILES notation for 3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one?
The canonical SMILES for 3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one is CC(C)N1CC(O)C2=CC(=O)C(O)C=C21.
What is the InChIKey of 3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one?
The InChIKey is DBLMAPRCGDJLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-6(2)12-5-11(15)7-3-9(13)10(14)4-8(7)12/h3-4,6,10-11,14-15H,5H2,1-2H3.
What are the key properties of 3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one?
3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one has a molecular weight of 209.25 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydroxy-1-propan-2-yl-3,6-dihydro-2H-indol-5-one is sourced from PubChem (CID 76851187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).