8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol

C16H12N4O5 — CID 135755077

IUPAC8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol
SMILESO=[N+]([O-])c1ccccc1/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3
InChIInChI=1S/C16H12N4O5/c21-16-15(19-18-10-3-1-2-4-12(10)20(22)23)9-7-13-14(8-11(9)17-16)25-6-5-24-13/h1-4,7-8,17,21H,5-6H2/b19-18+
InChIKeySOLUYJCDEJCGES-VHEBQXMUSA-N
MW340.30 g/mol
LogP3.97
Rot. Bonds3

About 8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol

8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol (PubChem CID 135755077) has the molecular formula C16H12N4O5 and a molecular weight of 340.30 g/mol. Its IUPAC name is 8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol.

Molecular Properties

Compound Name8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol
PubChem CID135755077
Molecular FormulaC16H12N4O5
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol
SMILESO=[N+]([O-])c1ccccc1/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3
InChIInChI=1S/C16H12N4O5/c21-16-15(19-18-10-3-1-2-4-12(10)20(22)23)9-7-13-14(8-11(9)17-16)25-6-5-24-13/h1-4,7-8,17,21H,5-6H2/b19-18+
InChIKeySOLUYJCDEJCGES-VHEBQXMUSA-N
XLogP3.97
TPSA122.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol?
The IUPAC name of 8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol (CID 135755077) is 8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol.
What is the SMILES notation for 8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol?
The canonical SMILES for 8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol is O=[N+]([O-])c1ccccc1/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3.
What is the InChIKey of 8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol?
The InChIKey is SOLUYJCDEJCGES-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H12N4O5/c21-16-15(19-18-10-3-1-2-4-12(10)20(22)23)9-7-13-14(8-11(9)17-16)25-6-5-24-13/h1-4,7-8,17,21H,5-6H2/b19-18+.
What are the key properties of 8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol?
8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol has a molecular weight of 340.30 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol is sourced from PubChem (CID 135755077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).