2,3-dihydroindol-5-one

C8H7NO — CID 24975429

IUPAC2,3-dihydroindol-5-one
SMILESO=C1C=CC2=NCCC2=C1
InChIInChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5H,3-4H2
InChIKeyUTPPPSHHZKMGEI-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.90
Rot. Bonds

About 2,3-dihydroindol-5-one

2,3-dihydroindol-5-one (PubChem CID 24975429) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 2,3-dihydroindol-5-one.

Molecular Properties

Compound Name2,3-dihydroindol-5-one
PubChem CID24975429
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name2,3-dihydroindol-5-one
SMILESO=C1C=CC2=NCCC2=C1
InChIInChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5H,3-4H2
InChIKeyUTPPPSHHZKMGEI-UHFFFAOYSA-N
XLogP0.90
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-5-one?
The IUPAC name of 2,3-dihydroindol-5-one (CID 24975429) is 2,3-dihydroindol-5-one.
What is the SMILES notation for 2,3-dihydroindol-5-one?
The canonical SMILES for 2,3-dihydroindol-5-one is O=C1C=CC2=NCCC2=C1.
What is the InChIKey of 2,3-dihydroindol-5-one?
The InChIKey is UTPPPSHHZKMGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5H,3-4H2.
What are the key properties of 2,3-dihydroindol-5-one?
2,3-dihydroindol-5-one has a molecular weight of 133.15 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-5-one is sourced from PubChem (CID 24975429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).