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

C17H12N4O5 — CID 135873291

IUPAC3-(5-methoxy-3-nitroso-1H-indol-2-yl)-5-nitro-1H-indol-2-ol
SMILESCOc1ccc2[nH]c(-c3c(O)[nH]c4ccc([N+](=O)[O-])cc34)c(N=O)c2c1
InChIInChI=1S/C17H12N4O5/c1-26-9-3-5-13-11(7-9)15(20-23)16(18-13)14-10-6-8(21(24)25)2-4-12(10)19-17(14)22/h2-7,18-19,22H,1H3
InChIKeyUEZMODQNQQTTKX-UHFFFAOYSA-N
MW352.31 g/mol
LogP4.34
Rot. Bonds4

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

3-(5-methoxy-3-nitroso-1H-indol-2-yl)-5-nitro-1H-indol-2-ol (PubChem CID 135873291) has the molecular formula C17H12N4O5 and a molecular weight of 352.31 g/mol. Its IUPAC name is 3-(5-methoxy-3-nitroso-1H-indol-2-yl)-5-nitro-1H-indol-2-ol.

Molecular Properties

Compound Name3-(5-methoxy-3-nitroso-1H-indol-2-yl)-5-nitro-1H-indol-2-ol
PubChem CID135873291
Molecular FormulaC17H12N4O5
Molecular Weight352.31 g/mol
Exact Mass352.08
IUPAC Name3-(5-methoxy-3-nitroso-1H-indol-2-yl)-5-nitro-1H-indol-2-ol
SMILESCOc1ccc2[nH]c(-c3c(O)[nH]c4ccc([N+](=O)[O-])cc34)c(N=O)c2c1
InChIInChI=1S/C17H12N4O5/c1-26-9-3-5-13-11(7-9)15(20-23)16(18-13)14-10-6-8(21(24)25)2-4-12(10)19-17(14)22/h2-7,18-19,22H,1H3
InChIKeyUEZMODQNQQTTKX-UHFFFAOYSA-N
XLogP4.34
TPSA133.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 3-(5-methoxy-3-nitroso-1H-indol-2-yl)-5-nitro-1H-indol-2-ol?
The IUPAC name of 3-(5-methoxy-3-nitroso-1H-indol-2-yl)-5-nitro-1H-indol-2-ol (CID 135873291) is 3-(5-methoxy-3-nitroso-1H-indol-2-yl)-5-nitro-1H-indol-2-ol.
What is the SMILES notation for 3-(5-methoxy-3-nitroso-1H-indol-2-yl)-5-nitro-1H-indol-2-ol?
The canonical SMILES for 3-(5-methoxy-3-nitroso-1H-indol-2-yl)-5-nitro-1H-indol-2-ol is COc1ccc2[nH]c(-c3c(O)[nH]c4ccc([N+](=O)[O-])cc34)c(N=O)c2c1.
What is the InChIKey of 3-(5-methoxy-3-nitroso-1H-indol-2-yl)-5-nitro-1H-indol-2-ol?
The InChIKey is UEZMODQNQQTTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O5/c1-26-9-3-5-13-11(7-9)15(20-23)16(18-13)14-10-6-8(21(24)25)2-4-12(10)19-17(14)22/h2-7,18-19,22H,1H3.
What are the key properties of 3-(5-methoxy-3-nitroso-1H-indol-2-yl)-5-nitro-1H-indol-2-ol?
3-(5-methoxy-3-nitroso-1H-indol-2-yl)-5-nitro-1H-indol-2-ol has a molecular weight of 352.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-3-nitroso-1H-indol-2-yl)-5-nitro-1H-indol-2-ol is sourced from PubChem (CID 135873291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).