3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one

C8H11NO3 — CID 72538450

IUPAC3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
SMILESCOC=C1OC2CC(=O)N2C1C
InChIInChI=1S/C8H11NO3/c1-5-6(4-11-2)12-8-3-7(10)9(5)8/h4-5,8H,3H2,1-2H3
InChIKeyIVLDZVDEEAACRJ-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.45
Rot. Bonds1

About 3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one

3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 72538450) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID72538450
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
SMILESCOC=C1OC2CC(=O)N2C1C
InChIInChI=1S/C8H11NO3/c1-5-6(4-11-2)12-8-3-7(10)9(5)8/h4-5,8H,3H2,1-2H3
InChIKeyIVLDZVDEEAACRJ-UHFFFAOYSA-N
XLogP0.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 25201844
azane;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 24721216
(2S,3Z,5S)-3-(2-aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 5460408
potassium (5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 129317596
5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid
CID 67036142
7-oxo-3-(3-sulfanylidenepropylidene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 57059439
(2R,5R)-3,7-dioxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 67610864
benzyl (2E)-2-(2-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene)-2-phenylacetate
CID 70590733
3-(methoxymethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 22748563
2-[(5R)-2-methoxycarbonyloxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pent-4-enoic acid
CID 118158337
3-[2-[(2-aminoacetyl)amino]ethylidene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 162890309
5-hydroxy-4-methoxy-6-methyloxan-2-one
CID 18534399

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of 3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (CID 72538450) is 3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for 3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for 3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one is COC=C1OC2CC(=O)N2C1C.
What is the InChIKey of 3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is IVLDZVDEEAACRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5-6(4-11-2)12-8-3-7(10)9(5)8/h4-5,8H,3H2,1-2H3.
What are the key properties of 3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 169.18 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethylidene)-2-methyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 72538450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).