3,7-dihydro-2H-indole-5,6-dione

C8H7NO2 — CID 123173377

IUPAC3,7-dihydro-2H-indole-5,6-dione
SMILESO=C1C=C2CCN=C2CC1=O
InChIInChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3H,1-2,4H2
InChIKeyMDINNLSHINNOCP-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.30
Rot. Bonds

About 3,7-dihydro-2H-indole-5,6-dione

3,7-dihydro-2H-indole-5,6-dione (PubChem CID 123173377) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 3,7-dihydro-2H-indole-5,6-dione.

Molecular Properties

Compound Name3,7-dihydro-2H-indole-5,6-dione
PubChem CID123173377
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name3,7-dihydro-2H-indole-5,6-dione
SMILESO=C1C=C2CCN=C2CC1=O
InChIInChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3H,1-2,4H2
InChIKeyMDINNLSHINNOCP-UHFFFAOYSA-N
XLogP0.30
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Butylimino-4-methylcyclohex-3-ene-1,2-dione
CID 91032762
3,3-Dimethyl-2,7-dihydroindole-5,6-dione
CID 91130918
6-(cyclohexen-1-yl)-4,5-dihydro-2H-pyridin-3-one
CID 123763156
3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)cyclohept-2-en-1-one
CID 126567009
(1E)-3,11-diazatricyclo[6.5.1.04,14]tetradeca-1(13),3,8(14),11-tetraen-9-one
CID 178136034

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydro-2H-indole-5,6-dione?
The IUPAC name of 3,7-dihydro-2H-indole-5,6-dione (CID 123173377) is 3,7-dihydro-2H-indole-5,6-dione.
What is the SMILES notation for 3,7-dihydro-2H-indole-5,6-dione?
The canonical SMILES for 3,7-dihydro-2H-indole-5,6-dione is O=C1C=C2CCN=C2CC1=O.
What is the InChIKey of 3,7-dihydro-2H-indole-5,6-dione?
The InChIKey is MDINNLSHINNOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3H,1-2,4H2.
What are the key properties of 3,7-dihydro-2H-indole-5,6-dione?
3,7-dihydro-2H-indole-5,6-dione has a molecular weight of 149.15 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydro-2H-indole-5,6-dione is sourced from PubChem (CID 123173377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).