2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide

C13H11NO5 — CID 53310057

IUPAC2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
SMILESO=C(NC1=CC(=O)[C@@H]2O[C@@H]2[C@@H]1O)c1ccccc1O
InChIInChI=1S/C13H11NO5/c15-8-4-2-1-3-6(8)13(18)14-7-5-9(16)11-12(19-11)10(7)17/h1-5,10-12,15,17H,(H,14,18)/t10-,11+,12-/m1/s1
InChIKeyIUOMATKBBPCLFR-GRYCIOLGSA-N
MW261.23 g/mol
LogP-0.28
Rot. Bonds2

About 2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide

2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide (PubChem CID 53310057) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
PubChem CID53310057
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
SMILESO=C(NC1=CC(=O)[C@@H]2O[C@@H]2[C@@H]1O)c1ccccc1O
InChIInChI=1S/C13H11NO5/c15-8-4-2-1-3-6(8)13(18)14-7-5-9(16)11-12(19-11)10(7)17/h1-5,10-12,15,17H,(H,14,18)/t10-,11+,12-/m1/s1
InChIKeyIUOMATKBBPCLFR-GRYCIOLGSA-N
XLogP-0.28
TPSA99.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(1S,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
CID 44828567
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
[3-[(2-hydroxybenzoyl)amino]-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] propan-2-yl carbonate
CID 87222869
(1-chloro-4-hydroxyisoquinolin-3-yl) N-(2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)carbamate
CID 118021222
[3-[[4-(dimethylamino)-2-hydroxybenzoyl]amino]-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] 2,2,2-trifluoroacetate
CID 87073739
2-hydroxy-N-phenylbenzamide
CID 157209959
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
N-[(3S)-3-hydroxy-2-methyl-6-oxo-2,3-dihydropyran-4-yl]-2-nitrosobenzamide
CID 142932677
2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
CID 3075331
N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide?
The IUPAC name of 2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide (CID 53310057) is 2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide?
The canonical SMILES for 2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide is O=C(NC1=CC(=O)[C@@H]2O[C@@H]2[C@@H]1O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide?
The InChIKey is IUOMATKBBPCLFR-GRYCIOLGSA-N. The full InChI is InChI=1S/C13H11NO5/c15-8-4-2-1-3-6(8)13(18)14-7-5-9(16)11-12(19-11)10(7)17/h1-5,10-12,15,17H,(H,14,18)/t10-,11+,12-/m1/s1.
What are the key properties of 2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide?
2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide has a molecular weight of 261.23 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide is sourced from PubChem (CID 53310057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).