1,4-dihydroindol-2-one

C8H7NO — CID 67469329

IUPAC1,4-dihydroindol-2-one
SMILESO=C1C=C2CC=CC=C2N1
InChIInChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-2,4-5H,3H2,(H,9,10)
InChIKeyWTSADDANMFUXAU-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.89
Rot. Bonds

About 1,4-dihydroindol-2-one

1,4-dihydroindol-2-one (PubChem CID 67469329) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 1,4-dihydroindol-2-one.

Molecular Properties

Compound Name1,4-dihydroindol-2-one
PubChem CID67469329
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name1,4-dihydroindol-2-one
SMILESO=C1C=C2CC=CC=C2N1
InChIInChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-2,4-5H,3H2,(H,9,10)
InChIKeyWTSADDANMFUXAU-UHFFFAOYSA-N
XLogP0.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroindol-2-one?
The IUPAC name of 1,4-dihydroindol-2-one (CID 67469329) is 1,4-dihydroindol-2-one.
What is the SMILES notation for 1,4-dihydroindol-2-one?
The canonical SMILES for 1,4-dihydroindol-2-one is O=C1C=C2CC=CC=C2N1.
What is the InChIKey of 1,4-dihydroindol-2-one?
The InChIKey is WTSADDANMFUXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-2,4-5H,3H2,(H,9,10).
What are the key properties of 1,4-dihydroindol-2-one?
1,4-dihydroindol-2-one has a molecular weight of 133.15 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroindol-2-one is sourced from PubChem (CID 67469329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).