N-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide

C8H9NO4 — CID 14413086

IUPACN-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide
SMILESCC(=O)NC1=CC(O)C2OC2C1=O
InChIInChI=1S/C8H9NO4/c1-3(10)9-4-2-5(11)7-8(13-7)6(4)12/h2,5,7-8,11H,1H3,(H,9,10)
InChIKeyROYHAMHLVIVHPH-UHFFFAOYSA-N
MW183.16 g/mol
LogP-1.28
Rot. Bonds1

About N-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide

N-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide (PubChem CID 14413086) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is N-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide
PubChem CID14413086
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC NameN-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide
SMILESCC(=O)NC1=CC(O)C2OC2C1=O
InChIInChI=1S/C8H9NO4/c1-3(10)9-4-2-5(11)7-8(13-7)6(4)12/h2,5,7-8,11H,1H3,(H,9,10)
InChIKeyROYHAMHLVIVHPH-UHFFFAOYSA-N
XLogP-1.28
TPSA78.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6E)-7-cyclohexyl-N-[(1S,5R,6S)-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hepta-2,4,6-trienamide
CID 15297708
N-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide
CID 14609651
(5-acetyloxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)methyl acetate
CID 121223272
(2R,3S)-3-hydroxy-2-methyl-5-[(2R,3S)-3-methyloxiran-2-yl]-2,3-dihydropyran-6-one
CID 135921651
N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide
CID 54689137
5-amino-4-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-2-carboxylic acid
CID 130020941
[(2S)-5-acetamido-6-oxo-2,3-dihydropyran-2-yl]methoxymethyloxidanium
CID 163495087
N-(2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide
CID 85139124
N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
CID 156618959
5-hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 75971482
2-[(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]acetic acid
CID 132534577
2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
CID 53310057

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide?
The IUPAC name of N-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide (CID 14413086) is N-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide.
What is the SMILES notation for N-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide?
The canonical SMILES for N-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide is CC(=O)NC1=CC(O)C2OC2C1=O.
What is the InChIKey of N-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide?
The InChIKey is ROYHAMHLVIVHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-3(10)9-4-2-5(11)7-8(13-7)6(4)12/h2,5,7-8,11H,1H3,(H,9,10).
What are the key properties of N-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide?
N-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide has a molecular weight of 183.16 g/mol, XLogP of -1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)acetamide is sourced from PubChem (CID 14413086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).