5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole

C18H15N3O — CID 102442659

IUPAC5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole
SMILESCc1ccc2[nH]cc(-c3[nH]c4ccc(C)cc4c3N=O)c2c1
InChIInChI=1S/C18H15N3O/c1-10-3-5-15-12(7-10)14(9-19-15)17-18(21-22)13-8-11(2)4-6-16(13)20-17/h3-9,19-20H,1-2H3
InChIKeyKLLJBMRSOSQVPP-UHFFFAOYSA-N
MW289.34 g/mol
LogP5.33
Rot. Bonds2

About 5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole

5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole (PubChem CID 102442659) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole.

Molecular Properties

Compound Name5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole
PubChem CID102442659
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole
SMILESCc1ccc2[nH]cc(-c3[nH]c4ccc(C)cc4c3N=O)c2c1
InChIInChI=1S/C18H15N3O/c1-10-3-5-15-12(7-10)14(9-19-15)17-18(21-22)13-8-11(2)4-6-16(13)20-17/h3-9,19-20H,1-2H3
InChIKeyKLLJBMRSOSQVPP-UHFFFAOYSA-N
XLogP5.33
TPSA61.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.34
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole?
The IUPAC name of 5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole (CID 102442659) is 5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole.
What is the SMILES notation for 5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole?
The canonical SMILES for 5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole is Cc1ccc2[nH]cc(-c3[nH]c4ccc(C)cc4c3N=O)c2c1.
What is the InChIKey of 5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole?
The InChIKey is KLLJBMRSOSQVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-10-3-5-15-12(7-10)14(9-19-15)17-18(21-22)13-8-11(2)4-6-16(13)20-17/h3-9,19-20H,1-2H3.
What are the key properties of 5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole?
5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole has a molecular weight of 289.34 g/mol, XLogP of 5.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methyl-1H-indol-3-yl)-3-nitroso-1H-indole is sourced from PubChem (CID 102442659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).