5-amino-1-methyl-6-nitro-3H-indol-2-one

C9H9N3O3 — CID 70420821

IUPAC5-amino-1-methyl-6-nitro-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(N)c([N+](=O)[O-])cc21
InChIInChI=1S/C9H9N3O3/c1-11-7-4-8(12(14)15)6(10)2-5(7)3-9(11)13/h2,4H,3,10H2,1H3
InChIKeyVUTOTLVYHUHMIP-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.70
Rot. Bonds1

About 5-amino-1-methyl-6-nitro-3H-indol-2-one

5-amino-1-methyl-6-nitro-3H-indol-2-one (PubChem CID 70420821) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-amino-1-methyl-6-nitro-3H-indol-2-one.

Molecular Properties

Compound Name5-amino-1-methyl-6-nitro-3H-indol-2-one
PubChem CID70420821
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name5-amino-1-methyl-6-nitro-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(N)c([N+](=O)[O-])cc21
InChIInChI=1S/C9H9N3O3/c1-11-7-4-8(12(14)15)6(10)2-5(7)3-9(11)13/h2,4H,3,10H2,1H3
InChIKeyVUTOTLVYHUHMIP-UHFFFAOYSA-N
XLogP0.70
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3,3-diethyl-1-methyl-6-nitroindol-2-one
CID 23092659
7-nitro-2,3,4,5-tetrahydro-1H-3-benzazepin-8-amine
CID 165113923
1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one
CID 43463232
2,4-dinitro-5-piperidin-1-ylaniline
CID 17352651
5-amino-1-ethyl-3,3-dimethyl-6-nitroindol-2-one
CID 23092649
4-(4-methylpiperazin-1-yl)-2-nitroaniline
CID 58160172
2,7-diamino-3,6-dinitrofluoren-9-one
CID 88596221
5-amino-3,3-dimethyl-1-(3-methylbutyl)-6-nitroindol-2-one
CID 23092666
6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
CID 117209495
5-amino-6-nitro-2-propan-2-ylisoindole-1,3-dione
CID 66690274
5-chloro-2-nitro-4-pyrrol-1-ylaniline
CID 18548859
5-amino-2,4-dinitrobenzenethiol
CID 88541379

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-6-nitro-3H-indol-2-one?
The IUPAC name of 5-amino-1-methyl-6-nitro-3H-indol-2-one (CID 70420821) is 5-amino-1-methyl-6-nitro-3H-indol-2-one.
What is the SMILES notation for 5-amino-1-methyl-6-nitro-3H-indol-2-one?
The canonical SMILES for 5-amino-1-methyl-6-nitro-3H-indol-2-one is CN1C(=O)Cc2cc(N)c([N+](=O)[O-])cc21.
What is the InChIKey of 5-amino-1-methyl-6-nitro-3H-indol-2-one?
The InChIKey is VUTOTLVYHUHMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-11-7-4-8(12(14)15)6(10)2-5(7)3-9(11)13/h2,4H,3,10H2,1H3.
What are the key properties of 5-amino-1-methyl-6-nitro-3H-indol-2-one?
5-amino-1-methyl-6-nitro-3H-indol-2-one has a molecular weight of 207.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-6-nitro-3H-indol-2-one is sourced from PubChem (CID 70420821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).