3,4-dihydro-1H-indole-2,5-dione

C8H7NO2 — CID 142131797

IUPAC3,4-dihydro-1H-indole-2,5-dione
SMILESO=C1C=CC2=C(C1)CC(=O)N2
InChIInChI=1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-2H,3-4H2,(H,9,11)
InChIKeyYTCZBNLKZWCITM-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.29
Rot. Bonds

About 3,4-dihydro-1H-indole-2,5-dione

3,4-dihydro-1H-indole-2,5-dione (PubChem CID 142131797) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 3,4-dihydro-1H-indole-2,5-dione.

Molecular Properties

Compound Name3,4-dihydro-1H-indole-2,5-dione
PubChem CID142131797
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name3,4-dihydro-1H-indole-2,5-dione
SMILESO=C1C=CC2=C(C1)CC(=O)N2
InChIInChI=1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-2H,3-4H2,(H,9,11)
InChIKeyYTCZBNLKZWCITM-UHFFFAOYSA-N
XLogP0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 267450
3,4-dihydro-1H-quinoline-2,5,8-trione
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4-Methylidene-1,5-dihydroindole-2,3-dione
CID 70398209
4-Tetrahydro-4-aza-fluorene-3,9-dione
CID 129787888
1,3,4,6-Tetrahydroquinoline-2,5-dione
CID 19986010
2-Acryloyl Ethylmaleimide
CID 22022533
3,4-dimethyl-3,4-dihydro-1H-indole-2,5-dione
CID 57306922
6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione
CID 57325676
1,5-Dihydrocyclopenta[b]pyridine-2,4-dione
CID 58191074
6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione
CID 58992895
3,4,5,6-tetrahydro-1H-1-benzazepine-2,7-dione
CID 68739175
3,5-Dihydro-1H-indole-2,4-dione
CID 71406600

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-indole-2,5-dione?
The IUPAC name of 3,4-dihydro-1H-indole-2,5-dione (CID 142131797) is 3,4-dihydro-1H-indole-2,5-dione.
What is the SMILES notation for 3,4-dihydro-1H-indole-2,5-dione?
The canonical SMILES for 3,4-dihydro-1H-indole-2,5-dione is O=C1C=CC2=C(C1)CC(=O)N2.
What is the InChIKey of 3,4-dihydro-1H-indole-2,5-dione?
The InChIKey is YTCZBNLKZWCITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-2H,3-4H2,(H,9,11).
What are the key properties of 3,4-dihydro-1H-indole-2,5-dione?
3,4-dihydro-1H-indole-2,5-dione has a molecular weight of 149.15 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-indole-2,5-dione is sourced from PubChem (CID 142131797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).