4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione

C10H9NO4 — CID 70033322

IUPAC4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione
SMILESCc1c(C)c(O)c2c(c1O)NC(=O)C2=O
InChIInChI=1S/C10H9NO4/c1-3-4(2)8(13)6-5(7(3)12)9(14)10(15)11-6/h12-13H,1-2H3,(H,11,14,15)
InChIKeyDGSXRVFXPKRDLH-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.85
Rot. Bonds

About 4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione

4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione (PubChem CID 70033322) has the molecular formula C10H9NO4 and a molecular weight of 207.18 g/mol. Its IUPAC name is 4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione
PubChem CID70033322
Molecular FormulaC10H9NO4
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC Name4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione
SMILESCc1c(C)c(O)c2c(c1O)NC(=O)C2=O
InChIInChI=1S/C10H9NO4/c1-3-4(2)8(13)6-5(7(3)12)9(14)10(15)11-6/h12-13H,1-2H3,(H,11,14,15)
InChIKeyDGSXRVFXPKRDLH-UHFFFAOYSA-N
XLogP0.85
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione?
The IUPAC name of 4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione (CID 70033322) is 4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione.
What is the SMILES notation for 4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione?
The canonical SMILES for 4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione is Cc1c(C)c(O)c2c(c1O)NC(=O)C2=O.
What is the InChIKey of 4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione?
The InChIKey is DGSXRVFXPKRDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-3-4(2)8(13)6-5(7(3)12)9(14)10(15)11-6/h12-13H,1-2H3,(H,11,14,15).
What are the key properties of 4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione?
4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione has a molecular weight of 207.18 g/mol, XLogP of 0.85, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione is sourced from PubChem (CID 70033322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).