6,7-dihydro-5H-indole-2,4-dione

C8H7NO2 — CID 22260399

IUPAC6,7-dihydro-5H-indole-2,4-dione
SMILESO=C1C=C2C(=O)CCCC2=N1
InChIInChI=1S/C8H7NO2/c10-7-3-1-2-6-5(7)4-8(11)9-6/h4H,1-3H2
InChIKeyKMVCDNBKNGVDOA-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.65
Rot. Bonds

About 6,7-dihydro-5H-indole-2,4-dione

6,7-dihydro-5H-indole-2,4-dione (PubChem CID 22260399) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 6,7-dihydro-5H-indole-2,4-dione.

Molecular Properties

Compound Name6,7-dihydro-5H-indole-2,4-dione
PubChem CID22260399
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name6,7-dihydro-5H-indole-2,4-dione
SMILESO=C1C=C2C(=O)CCCC2=N1
InChIInChI=1S/C8H7NO2/c10-7-3-1-2-6-5(7)4-8(11)9-6/h4H,1-3H2
InChIKeyKMVCDNBKNGVDOA-UHFFFAOYSA-N
XLogP0.65
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-indole-2,4-dione?
The IUPAC name of 6,7-dihydro-5H-indole-2,4-dione (CID 22260399) is 6,7-dihydro-5H-indole-2,4-dione.
What is the SMILES notation for 6,7-dihydro-5H-indole-2,4-dione?
The canonical SMILES for 6,7-dihydro-5H-indole-2,4-dione is O=C1C=C2C(=O)CCCC2=N1.
What is the InChIKey of 6,7-dihydro-5H-indole-2,4-dione?
The InChIKey is KMVCDNBKNGVDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-7-3-1-2-6-5(7)4-8(11)9-6/h4H,1-3H2.
What are the key properties of 6,7-dihydro-5H-indole-2,4-dione?
6,7-dihydro-5H-indole-2,4-dione has a molecular weight of 149.15 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-indole-2,4-dione is sourced from PubChem (CID 22260399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).