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

C9H10N2O — CID 3074542

IUPAC5-amino-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(N)cc21
InChIInChI=1S/C9H10N2O/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-5H,10H2,1H3,(H,11,12)
InChIKeyFBGWTLQPDLOENE-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.32
Rot. Bonds

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

5-amino-3-methyl-1,3-dihydroindol-2-one (PubChem CID 3074542) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-amino-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-3-methyl-1,3-dihydroindol-2-one
PubChem CID3074542
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-amino-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(N)cc21
InChIInChI=1S/C9H10N2O/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-5H,10H2,1H3,(H,11,12)
InChIKeyFBGWTLQPDLOENE-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.32
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
N-Methyloxindole
CID 6096
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-3-methyl-1,3-dihydroindol-2-one (CID 3074542) is 5-amino-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2ccc(N)cc21.
What is the InChIKey of 5-amino-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is FBGWTLQPDLOENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-5H,10H2,1H3,(H,11,12).
What are the key properties of 5-amino-3-methyl-1,3-dihydroindol-2-one?
5-amino-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 162.19 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 3074542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).