10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol

C11H12N2O4 — CID 142081754

IUPAC10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol
SMILESO=[N+]([O-])c1cc2c(cc1O)C1CC2CN(O)C1
InChIInChI=1S/C11H12N2O4/c14-11-3-9-7-1-6(4-12(15)5-7)8(9)2-10(11)13(16)17/h2-3,6-7,14-15H,1,4-5H2
InChIKeyAYPFDNHDVGRISE-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.58
Rot. Bonds1

About 10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol

10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol (PubChem CID 142081754) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol.

Molecular Properties

Compound Name10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol
PubChem CID142081754
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol
SMILESO=[N+]([O-])c1cc2c(cc1O)C1CC2CN(O)C1
InChIInChI=1S/C11H12N2O4/c14-11-3-9-7-1-6(4-12(15)5-7)8(9)2-10(11)13(16)17/h2-3,6-7,14-15H,1,4-5H2
InChIKeyAYPFDNHDVGRISE-UHFFFAOYSA-N
XLogP1.58
TPSA86.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

1-(4,5-dinitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)ethanone
CID 24827018
3-amino-6-nitro-2,3-dihydro-1-benzofuran-5-ol
CID 130054168
4-cyclopropyl-2-nitrophenol
CID 12608020
4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol
CID 134226494
4-(1,3-dithiolan-2-yl)-5-nitrobenzene-1,2-diol
CID 118563832
4-[(2S)-aziridin-2-yl]-2-nitrophenol
CID 55263727
4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol
CID 18172665
5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol
CID 102273145
3-nitronaphthalen-2-ol
CID 15859501
(3-hydroxy-4-nitrophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 103280777
4-hydroxy-2,5-dinitrobenzaldehyde
CID 118176049
2,4-dihydroxy-5-nitrobenzonitrile
CID 112719946

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol?
The IUPAC name of 10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol (CID 142081754) is 10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol.
What is the SMILES notation for 10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol?
The canonical SMILES for 10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol is O=[N+]([O-])c1cc2c(cc1O)C1CC2CN(O)C1.
What is the InChIKey of 10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol?
The InChIKey is AYPFDNHDVGRISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-11-3-9-7-1-6(4-12(15)5-7)8(9)2-10(11)13(16)17/h2-3,6-7,14-15H,1,4-5H2.
What are the key properties of 10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol?
10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol has a molecular weight of 236.23 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol is sourced from PubChem (CID 142081754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).