4,7-dimethyl-5-nitro-1H-indole-2,3-dione

C10H8N2O4 — CID 103145278

IUPAC4,7-dimethyl-5-nitro-1H-indole-2,3-dione
SMILESCc1cc([N+](=O)[O-])c(C)c2c1NC(=O)C2=O
InChIInChI=1S/C10H8N2O4/c1-4-3-6(12(15)16)5(2)7-8(4)11-10(14)9(7)13/h3H,1-2H3,(H,11,13,14)
InChIKeyUQQHELMAMIESGQ-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.35
Rot. Bonds1

About 4,7-dimethyl-5-nitro-1H-indole-2,3-dione

4,7-dimethyl-5-nitro-1H-indole-2,3-dione (PubChem CID 103145278) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 4,7-dimethyl-5-nitro-1H-indole-2,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-5-nitro-1H-indole-2,3-dione
PubChem CID103145278
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name4,7-dimethyl-5-nitro-1H-indole-2,3-dione
SMILESCc1cc([N+](=O)[O-])c(C)c2c1NC(=O)C2=O
InChIInChI=1S/C10H8N2O4/c1-4-3-6(12(15)16)5(2)7-8(4)11-10(14)9(7)13/h3H,1-2H3,(H,11,13,14)
InChIKeyUQQHELMAMIESGQ-UHFFFAOYSA-N
XLogP1.35
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-methyl-6-nitro-1H-indole-2,3-dione
CID 119088829
4-chloro-7-nitro-1H-indole-2,3-dione
CID 18070554
2-methoxy-1,3,4-trimethyl-5-nitrobenzene
CID 22408512
methyl 4-chloro-5-nitro-2,3-dioxo-1H-indole-7-carboxylate
CID 73426426
4-methyl-5-nitro-1H-indole;4-methyl-5-nitro-1H-indole-2,3-dione
CID 158642932
2-methyl-1,3,5-trinitrobenzene
CID 87172748
7-iodo-5-nitro-1H-indole-2,3-dione
CID 119089932
4-methyl-3,5-dinitroaniline
CID 29574
(3,4-dimethyl-5-nitrophenyl)boronic acid
CID 164643513
4-chloro-1,2,3-trimethyl-5-nitrobenzene
CID 162041077
1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole
CID 134924795
4-amino-5-(6-bromo-2,3-dimethyl-4-nitrophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330079

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-5-nitro-1H-indole-2,3-dione?
The IUPAC name of 4,7-dimethyl-5-nitro-1H-indole-2,3-dione (CID 103145278) is 4,7-dimethyl-5-nitro-1H-indole-2,3-dione.
What is the SMILES notation for 4,7-dimethyl-5-nitro-1H-indole-2,3-dione?
The canonical SMILES for 4,7-dimethyl-5-nitro-1H-indole-2,3-dione is Cc1cc([N+](=O)[O-])c(C)c2c1NC(=O)C2=O.
What is the InChIKey of 4,7-dimethyl-5-nitro-1H-indole-2,3-dione?
The InChIKey is UQQHELMAMIESGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-4-3-6(12(15)16)5(2)7-8(4)11-10(14)9(7)13/h3H,1-2H3,(H,11,13,14).
What are the key properties of 4,7-dimethyl-5-nitro-1H-indole-2,3-dione?
4,7-dimethyl-5-nitro-1H-indole-2,3-dione has a molecular weight of 220.18 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-5-nitro-1H-indole-2,3-dione is sourced from PubChem (CID 103145278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).