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

C17H13N3O2 — CID 135418352

IUPAC5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(-c3[nH]c4ccccc4c3N=O)c2c1
InChIInChI=1S/C17H13N3O2/c1-9-6-7-13-11(8-9)14(17(21)19-13)16-15(20-22)10-4-2-3-5-12(10)18-16/h2-8,18-19,21H,1H3
InChIKeyULHUMANZKRBOMF-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.73
Rot. Bonds2

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

5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (PubChem CID 135418352) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
PubChem CID135418352
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(-c3[nH]c4ccccc4c3N=O)c2c1
InChIInChI=1S/C17H13N3O2/c1-9-6-7-13-11(8-9)14(17(21)19-13)16-15(20-22)10-4-2-3-5-12(10)18-16/h2-8,18-19,21H,1H3
InChIKeyULHUMANZKRBOMF-UHFFFAOYSA-N
XLogP4.73
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The IUPAC name of 5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (CID 135418352) is 5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.
What is the SMILES notation for 5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The canonical SMILES for 5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is Cc1ccc2[nH]c(O)c(-c3[nH]c4ccccc4c3N=O)c2c1.
What is the InChIKey of 5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The InChIKey is ULHUMANZKRBOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-9-6-7-13-11(8-9)14(17(21)19-13)16-15(20-22)10-4-2-3-5-12(10)18-16/h2-8,18-19,21H,1H3.
What are the key properties of 5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol has a molecular weight of 291.31 g/mol, XLogP of 4.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is sourced from PubChem (CID 135418352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).