N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide

C13H13NO5 — CID 85139124

IUPACN-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide
SMILESO=C(NC1=CC(O)C2OC2C1O)c1ccccc1O
InChIInChI=1S/C13H13NO5/c15-8-4-2-1-3-6(8)13(18)14-7-5-9(16)11-12(19-11)10(7)17/h1-5,9-12,15-17H,(H,14,18)
InChIKeyNHMKIGYMFSUEDA-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.49
Rot. Bonds2

About N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide

N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide (PubChem CID 85139124) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide
PubChem CID85139124
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC NameN-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide
SMILESO=C(NC1=CC(O)C2OC2C1O)c1ccccc1O
InChIInChI=1S/C13H13NO5/c15-8-4-2-1-3-6(8)13(18)14-7-5-9(16)11-12(19-11)10(7)17/h1-5,9-12,15-17H,(H,14,18)
InChIKeyNHMKIGYMFSUEDA-UHFFFAOYSA-N
XLogP-0.49
TPSA102.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2S,5R)-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2-hydroxybenzamide
CID 10422845
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-hydroxy-N-phenylbenzamide
CID 157209959
[3-[(2-hydroxybenzoyl)amino]-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] propan-2-yl carbonate
CID 87222869
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
N,2-dihydroxybenzamide;ethane
CID 91440405
N-(1,3-dihydroxy-1,3-dihydroisoindol-2-yl)-2-hydroxybenzamide
CID 66730211
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
N-[4-(2-aminoethyl)phenyl]-2-hydroxybenzamide
CID 62303022
N-(2-carbamothioylphenyl)-2-hydroxybenzamide
CID 24692803

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide?
The IUPAC name of N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide (CID 85139124) is N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide.
What is the SMILES notation for N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide?
The canonical SMILES for N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide is O=C(NC1=CC(O)C2OC2C1O)c1ccccc1O.
What is the InChIKey of N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide?
The InChIKey is NHMKIGYMFSUEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c15-8-4-2-1-3-6(8)13(18)14-7-5-9(16)11-12(19-11)10(7)17/h1-5,9-12,15-17H,(H,14,18).
What are the key properties of N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide?
N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide has a molecular weight of 263.25 g/mol, XLogP of -0.49, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide is sourced from PubChem (CID 85139124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).