(3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione

C8H7NO3 — CID 90125723

IUPAC(3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione
SMILESO=C1C=C2NC[C@H](O)C2=CC1=O
InChIInChI=1S/C8H7NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1-2,8-9,12H,3H2/t8-/m0/s1
InChIKeyLXXQZMIOKXLXPT-QMMMGPOBSA-N
MW165.15 g/mol
LogP-1.09
Rot. Bonds

About (3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione

(3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione (PubChem CID 90125723) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is (3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione.

Molecular Properties

Compound Name(3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione
PubChem CID90125723
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name(3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione
SMILESO=C1C=C2NC[C@H](O)C2=CC1=O
InChIInChI=1S/C8H7NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1-2,8-9,12H,3H2/t8-/m0/s1
InChIKeyLXXQZMIOKXLXPT-QMMMGPOBSA-N
XLogP-1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione?
The IUPAC name of (3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione (CID 90125723) is (3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione.
What is the SMILES notation for (3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione?
The canonical SMILES for (3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione is O=C1C=C2NC[C@H](O)C2=CC1=O.
What is the InChIKey of (3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione?
The InChIKey is LXXQZMIOKXLXPT-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H7NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1-2,8-9,12H,3H2/t8-/m0/s1.
What are the key properties of (3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione?
(3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione has a molecular weight of 165.15 g/mol, XLogP of -1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione is sourced from PubChem (CID 90125723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).