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

C18H13N3O4 — CID 142579236

IUPACmethyl 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(O)c(-c3[nH]c4ccccc4c3N=O)c2c1
InChIInChI=1S/C18H13N3O4/c1-25-18(23)9-6-7-13-11(8-9)14(17(22)20-13)16-15(21-24)10-4-2-3-5-12(10)19-16/h2-8,19-20,22H,1H3
InChIKeyARJKRJNRDTUMBR-UHFFFAOYSA-N
MW335.32 g/mol
LogP4.21
Rot. Bonds3

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

methyl 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-carboxylate (PubChem CID 142579236) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-carboxylate
PubChem CID142579236
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC Namemethyl 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(O)c(-c3[nH]c4ccccc4c3N=O)c2c1
InChIInChI=1S/C18H13N3O4/c1-25-18(23)9-6-7-13-11(8-9)14(17(22)20-13)16-15(21-24)10-4-2-3-5-12(10)19-16/h2-8,19-20,22H,1H3
InChIKeyARJKRJNRDTUMBR-UHFFFAOYSA-N
XLogP4.21
TPSA107.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-carboxylate?
The IUPAC name of methyl 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-carboxylate (CID 142579236) is methyl 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-carboxylate?
The canonical SMILES for methyl 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-carboxylate is COC(=O)c1ccc2[nH]c(O)c(-c3[nH]c4ccccc4c3N=O)c2c1.
What is the InChIKey of methyl 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-carboxylate?
The InChIKey is ARJKRJNRDTUMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c1-25-18(23)9-6-7-13-11(8-9)14(17(22)20-13)16-15(21-24)10-4-2-3-5-12(10)19-16/h2-8,19-20,22H,1H3.
What are the key properties of methyl 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-carboxylate?
methyl 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-carboxylate has a molecular weight of 335.32 g/mol, XLogP of 4.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-carboxylate is sourced from PubChem (CID 142579236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).