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

C17H13N3O2 — CID 135779816

IUPAC7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESCc1cccc2c(-c3[nH]c4ccccc4c3N=O)c(O)[nH]c12
InChIInChI=1S/C17H13N3O2/c1-9-5-4-7-11-13(17(21)19-14(9)11)16-15(20-22)10-6-2-3-8-12(10)18-16/h2-8,18-19,21H,1H3
InChIKeyXSYZGBRGKDAMQH-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.73
Rot. Bonds2

About 7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (PubChem CID 135779816) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
PubChem CID135779816
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESCc1cccc2c(-c3[nH]c4ccccc4c3N=O)c(O)[nH]c12
InChIInChI=1S/C17H13N3O2/c1-9-5-4-7-11-13(17(21)19-14(9)11)16-15(20-22)10-6-2-3-8-12(10)18-16/h2-8,18-19,21H,1H3
InChIKeyXSYZGBRGKDAMQH-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 7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The IUPAC name of 7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (CID 135779816) is 7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.
What is the SMILES notation for 7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The canonical SMILES for 7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is Cc1cccc2c(-c3[nH]c4ccccc4c3N=O)c(O)[nH]c12.
What is the InChIKey of 7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The InChIKey is XSYZGBRGKDAMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-9-5-4-7-11-13(17(21)19-14(9)11)16-15(20-22)10-6-2-3-8-12(10)18-16/h2-8,18-19,21H,1H3.
What are the key properties of 7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
7-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 7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is sourced from PubChem (CID 135779816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).