N-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide

C15H12N2O5 — CID 25196349

IUPACN-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide
SMILESO=C(NN1C2OC1c1c2ccc(O)c1O)c1ccccc1O
InChIInChI=1S/C15H12N2O5/c18-9-4-2-1-3-7(9)13(21)16-17-14-8-5-6-10(19)12(20)11(8)15(17)22-14/h1-6,14-15,18-20H,(H,16,21)
InChIKeyXDRJSNITEZCFSR-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.49
Rot. Bonds2

About N-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide

N-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide (PubChem CID 25196349) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is N-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide
PubChem CID25196349
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC NameN-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide
SMILESO=C(NN1C2OC1c1c2ccc(O)c1O)c1ccccc1O
InChIInChI=1S/C15H12N2O5/c18-9-4-2-1-3-7(9)13(21)16-17-14-8-5-6-10(19)12(20)11(8)15(17)22-14/h1-6,14-15,18-20H,(H,16,21)
InChIKeyXDRJSNITEZCFSR-UHFFFAOYSA-N
XLogP1.49
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dihydroxy-1,3-dihydroisoindol-2-yl)-2-hydroxybenzamide
CID 66730211
2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481016
N-tert-butyl-2-hydroxybenzamide
CID 139189948
N,2-dihydroxybenzamide;ethane
CID 91440405
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide
CID 85139124
N-[(1R,2S,5R)-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2-hydroxybenzamide
CID 10422845
2-hydroxy-N-phenylbenzamide
CID 157209959
2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
CID 53310057
2-hydroxy-N-[(1S,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
CID 44828567
2-hydroxybenzoic acid;praseodymium
CID 87786006
N'-(1-cyclopropylethenyl)-2-hydroxybenzohydrazide
CID 4641225

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide?
The IUPAC name of N-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide (CID 25196349) is N-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide.
What is the SMILES notation for N-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide?
The canonical SMILES for N-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide is O=C(NN1C2OC1c1c2ccc(O)c1O)c1ccccc1O.
What is the InChIKey of N-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide?
The InChIKey is XDRJSNITEZCFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c18-9-4-2-1-3-7(9)13(21)16-17-14-8-5-6-10(19)12(20)11(8)15(17)22-14/h1-6,14-15,18-20H,(H,16,21).
What are the key properties of N-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide?
N-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide has a molecular weight of 300.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxy-9-oxa-10-azatricyclo[6.1.1.02,7]deca-2(7),3,5-trien-10-yl)-2-hydroxybenzamide is sourced from PubChem (CID 25196349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).