5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one

C13H20N4O — CID 115261432

IUPAC5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one
SMILESCC(C)(CN)c1ccc2c(c1)CC(=O)N2CNN
InChIInChI=1S/C13H20N4O/c1-13(2,7-14)10-3-4-11-9(5-10)6-12(18)17(11)8-16-15/h3-5,16H,6-8,14-15H2,1-2H3
InChIKeyYVSQSJQWZHDDAQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.23
Rot. Bonds4

About 5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one

5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one (PubChem CID 115261432) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one
PubChem CID115261432
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one
SMILESCC(C)(CN)c1ccc2c(c1)CC(=O)N2CNN
InChIInChI=1S/C13H20N4O/c1-13(2,7-14)10-3-4-11-9(5-10)6-12(18)17(11)8-16-15/h3-5,16H,6-8,14-15H2,1-2H3
InChIKeyYVSQSJQWZHDDAQ-UHFFFAOYSA-N
XLogP0.23
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-amino-2-methylpropan-2-yl)-1-(2-chloroethyl)-3H-indol-2-one
CID 115215300
2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile
CID 115130652
[2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea
CID 115168782
1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one
CID 115200017
1-(aminomethyl)-5-(methylamino)-3H-indol-2-one
CID 115225548
1,5-bis(methylaminomethyl)-3H-indol-2-one
CID 115226998
5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one
CID 82289779
2-(5-amino-2-oxo-3H-indol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 61486326
1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one
CID 115243978
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115136265
3-(5-amino-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanenitrile
CID 115233774

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one?
The IUPAC name of 5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one (CID 115261432) is 5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one.
What is the SMILES notation for 5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one?
The canonical SMILES for 5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one is CC(C)(CN)c1ccc2c(c1)CC(=O)N2CNN.
What is the InChIKey of 5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one?
The InChIKey is YVSQSJQWZHDDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(2,7-14)10-3-4-11-9(5-10)6-12(18)17(11)8-16-15/h3-5,16H,6-8,14-15H2,1-2H3.
What are the key properties of 5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one?
5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropan-2-yl)-1-(hydrazinylmethyl)-3H-indol-2-one is sourced from PubChem (CID 115261432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).