1,2,3,3-tetramethyl-4,6-dinitro-2H-indole

C12H15N3O4 — CID 3319667

IUPAC1,2,3,3-tetramethyl-4,6-dinitro-2H-indole
SMILESCC1N(C)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C1(C)C
InChIInChI=1S/C12H15N3O4/c1-7-12(2,3)11-9(13(7)4)5-8(14(16)17)6-10(11)15(18)19/h5-7H,1-4H3
InChIKeyIAXLZRAKLPJWKH-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.62
Rot. Bonds2

About 1,2,3,3-tetramethyl-4,6-dinitro-2H-indole

1,2,3,3-tetramethyl-4,6-dinitro-2H-indole (PubChem CID 3319667) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1,2,3,3-tetramethyl-4,6-dinitro-2H-indole.

Molecular Properties

Compound Name1,2,3,3-tetramethyl-4,6-dinitro-2H-indole
PubChem CID3319667
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1,2,3,3-tetramethyl-4,6-dinitro-2H-indole
SMILESCC1N(C)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C1(C)C
InChIInChI=1S/C12H15N3O4/c1-7-12(2,3)11-9(13(7)4)5-8(14(16)17)6-10(11)15(18)19/h5-7H,1-4H3
InChIKeyIAXLZRAKLPJWKH-UHFFFAOYSA-N
XLogP2.62
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1,3,5-trinitrobenzene
CID 87172748
calcium bis(2,4,6-trinitrophenolate)
CID 517024
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CID 90471623
9-methyl-2,4,5,7-tetranitro-9H-fluorene
CID 88919207
zinc;bis(2,4,6-trinitrophenolate);nonahydrate
CID 139060204
iron(3+);tris(2,4,6-trinitrophenolate);hydrate
CID 173341190
(2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate
CID 2307444
potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
CID 173446524
2-(2-methylpropyl)-1,3,5-trinitrobenzene
CID 91204309
1,5-bis(2,4,6-trinitrophenyl)naphthalene
CID 102507077
cobalt;2,4,6-trinitrophenol
CID 88826081
thorium;2,4,6-trinitrophenol
CID 88723018

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetramethyl-4,6-dinitro-2H-indole?
The IUPAC name of 1,2,3,3-tetramethyl-4,6-dinitro-2H-indole (CID 3319667) is 1,2,3,3-tetramethyl-4,6-dinitro-2H-indole.
What is the SMILES notation for 1,2,3,3-tetramethyl-4,6-dinitro-2H-indole?
The canonical SMILES for 1,2,3,3-tetramethyl-4,6-dinitro-2H-indole is CC1N(C)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C1(C)C.
What is the InChIKey of 1,2,3,3-tetramethyl-4,6-dinitro-2H-indole?
The InChIKey is IAXLZRAKLPJWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-12(2,3)11-9(13(7)4)5-8(14(16)17)6-10(11)15(18)19/h5-7H,1-4H3.
What are the key properties of 1,2,3,3-tetramethyl-4,6-dinitro-2H-indole?
1,2,3,3-tetramethyl-4,6-dinitro-2H-indole has a molecular weight of 265.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetramethyl-4,6-dinitro-2H-indole is sourced from PubChem (CID 3319667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).