1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole

C19H18N4O4 — CID 158526153

IUPAC1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole
SMILESCc1cc2cc([N+](=O)[O-])ccc2[nH]1.Cc1cc2cc([N+](=O)[O-])ccc2n1C
InChIInChI=1S/C10H10N2O2.C9H8N2O2/c1-7-5-8-6-9(12(13)14)3-4-10(8)11(7)2;1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h3-6H,1-2H3;2-5,10H,1H3
InChIKeyHMUQFJDXZLFAFH-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.78
Rot. Bonds2

About 1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole

1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole (PubChem CID 158526153) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole.

Molecular Properties

Compound Name1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole
PubChem CID158526153
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole
SMILESCc1cc2cc([N+](=O)[O-])ccc2[nH]1.Cc1cc2cc([N+](=O)[O-])ccc2n1C
InChIInChI=1S/C10H10N2O2.C9H8N2O2/c1-7-5-8-6-9(12(13)14)3-4-10(8)11(7)2;1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h3-6H,1-2H3;2-5,10H,1H3
InChIKeyHMUQFJDXZLFAFH-UHFFFAOYSA-N
XLogP4.78
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.78
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole?
The IUPAC name of 1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole (CID 158526153) is 1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole.
What is the SMILES notation for 1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole?
The canonical SMILES for 1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole is Cc1cc2cc([N+](=O)[O-])ccc2[nH]1.Cc1cc2cc([N+](=O)[O-])ccc2n1C.
What is the InChIKey of 1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole?
The InChIKey is HMUQFJDXZLFAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.C9H8N2O2/c1-7-5-8-6-9(12(13)14)3-4-10(8)11(7)2;1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h3-6H,1-2H3;2-5,10H,1H3.
What are the key properties of 1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole?
1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole has a molecular weight of 366.38 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-nitroindole;2-methyl-5-nitro-1H-indole is sourced from PubChem (CID 158526153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).