7-ethyl-5-nitro-1H-indole-2,3-dione

C10H8N2O4 — CID 39082910

IUPAC7-ethyl-5-nitro-1H-indole-2,3-dione
SMILESCCc1cc([N+](=O)[O-])cc2c1NC(=O)C2=O
InChIInChI=1S/C10H8N2O4/c1-2-5-3-6(12(15)16)4-7-8(5)11-10(14)9(7)13/h3-4H,2H2,1H3,(H,11,13,14)
InChIKeyBYIZSDNQZSWVJO-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.29
Rot. Bonds2

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

7-ethyl-5-nitro-1H-indole-2,3-dione (PubChem CID 39082910) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 7-ethyl-5-nitro-1H-indole-2,3-dione.

Molecular Properties

Compound Name7-ethyl-5-nitro-1H-indole-2,3-dione
PubChem CID39082910
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name7-ethyl-5-nitro-1H-indole-2,3-dione
SMILESCCc1cc([N+](=O)[O-])cc2c1NC(=O)C2=O
InChIInChI=1S/C10H8N2O4/c1-2-5-3-6(12(15)16)4-7-8(5)11-10(14)9(7)13/h3-4H,2H2,1H3,(H,11,13,14)
InChIKeyBYIZSDNQZSWVJO-UHFFFAOYSA-N
XLogP1.29
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.29
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

7-iodo-5-nitro-1H-indole-2,3-dione
CID 119089932
methane;5-nitro-1H-indole-2,3-dione
CID 174942814
2,2-diethyl-6,8-dinitro-1,3-dihydroquinazolin-4-one
CID 126842678
2-(6-nitro-1,3-dioxoisoindol-4-yl)acetaldehyde
CID 138115501
2,6-bis(diethylaminomethyl)-4-nitrophenol
CID 14293691
2-ethyl-4-nitrobenzenesulfonyl chloride
CID 87194881
1-ethyl-5,7-dinitroindole-2,3-dione
CID 19772341
5-methyl-6-nitro-1H-indole-2,3-dione
CID 119088829
bis(propan-1-amine);1,3,5-trinitrobenzene
CID 71444758
2-ethyl-4-nitrobenzonitrile
CID 67236310
2-ethyl-N-methyl-4-nitrobenzenesulfonamide
CID 158476793
triethyloxidanium;2,4,6-trinitrobenzenesulfonate
CID 159047558

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-nitro-1H-indole-2,3-dione?
The IUPAC name of 7-ethyl-5-nitro-1H-indole-2,3-dione (CID 39082910) is 7-ethyl-5-nitro-1H-indole-2,3-dione.
What is the SMILES notation for 7-ethyl-5-nitro-1H-indole-2,3-dione?
The canonical SMILES for 7-ethyl-5-nitro-1H-indole-2,3-dione is CCc1cc([N+](=O)[O-])cc2c1NC(=O)C2=O.
What is the InChIKey of 7-ethyl-5-nitro-1H-indole-2,3-dione?
The InChIKey is BYIZSDNQZSWVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-2-5-3-6(12(15)16)4-7-8(5)11-10(14)9(7)13/h3-4H,2H2,1H3,(H,11,13,14).
What are the key properties of 7-ethyl-5-nitro-1H-indole-2,3-dione?
7-ethyl-5-nitro-1H-indole-2,3-dione has a molecular weight of 220.18 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-nitro-1H-indole-2,3-dione is sourced from PubChem (CID 39082910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).