5-amino-1,3-dihydroindol-2-one

C8H8N2O — CID 2773213

IUPAC5-amino-1,3-dihydroindol-2-one
SMILESNc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C8H8N2O/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4,9H2,(H,10,11)
InChIKeyJPUYXUBUJJDJNL-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.76
Rot. Bonds

About 5-amino-1,3-dihydroindol-2-one

5-amino-1,3-dihydroindol-2-one (PubChem CID 2773213) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-amino-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-1,3-dihydroindol-2-one
PubChem CID2773213
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5-amino-1,3-dihydroindol-2-one
SMILESNc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C8H8N2O/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4,9H2,(H,10,11)
InChIKeyJPUYXUBUJJDJNL-UHFFFAOYSA-N
XLogP0.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-1,3-dihydroindol-2-one (CID 2773213) is 5-amino-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-1,3-dihydroindol-2-one is Nc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-amino-1,3-dihydroindol-2-one?
The InChIKey is JPUYXUBUJJDJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4,9H2,(H,10,11).
What are the key properties of 5-amino-1,3-dihydroindol-2-one?
5-amino-1,3-dihydroindol-2-one has a molecular weight of 148.16 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dihydroindol-2-one is sourced from PubChem (CID 2773213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).