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

C8H8N2O — CID 6423312

IUPAC7-amino-1,3-dihydroindol-2-one
SMILESNc1cccc2c1NC(=O)C2
InChIInChI=1S/C8H8N2O/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-3H,4,9H2,(H,10,11)
InChIKeyRKPBTSNUXKVZPG-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.76
Rot. Bonds

About 7-amino-1,3-dihydroindol-2-one

7-amino-1,3-dihydroindol-2-one (PubChem CID 6423312) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 7-amino-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-amino-1,3-dihydroindol-2-one
PubChem CID6423312
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name7-amino-1,3-dihydroindol-2-one
SMILESNc1cccc2c1NC(=O)C2
InChIInChI=1S/C8H8N2O/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-3H,4,9H2,(H,10,11)
InChIKeyRKPBTSNUXKVZPG-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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Related Compounds

Ropinirole
CID 5095
Oxindole
CID 321710
Ropinirole Hydrochloride
CID 68727
3-Methyloxindole
CID 150923
2-(2-Oxoindolin-3-ylidene)malononitrile
CID 244537
3-Benzylideneindolin-2-one
CID 1551501
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
(3E)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
CID 5319526
5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012
1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
CID 98365
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
4-(2-(Propylamino)ethyl)indolin-2-one hydrochloride
CID 23322039

Frequently Asked Questions

What is the IUPAC name of 7-amino-1,3-dihydroindol-2-one?
The IUPAC name of 7-amino-1,3-dihydroindol-2-one (CID 6423312) is 7-amino-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-amino-1,3-dihydroindol-2-one?
The canonical SMILES for 7-amino-1,3-dihydroindol-2-one is Nc1cccc2c1NC(=O)C2.
What is the InChIKey of 7-amino-1,3-dihydroindol-2-one?
The InChIKey is RKPBTSNUXKVZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-3H,4,9H2,(H,10,11).
What are the key properties of 7-amino-1,3-dihydroindol-2-one?
7-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 7-amino-1,3-dihydroindol-2-one is sourced from PubChem (CID 6423312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).