1-(methoxymethyl)azetidine-2,4-dione

C5H7NO3 — CID 91331247

IUPAC1-(methoxymethyl)azetidine-2,4-dione
SMILESCOCN1C(=O)CC1=O
InChIInChI=1S/C5H7NO3/c1-9-3-6-4(7)2-5(6)8/h2-3H2,1H3
InChIKeyNHIDZDDTJXAZTK-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.65
Rot. Bonds2

About 1-(methoxymethyl)azetidine-2,4-dione

1-(methoxymethyl)azetidine-2,4-dione (PubChem CID 91331247) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 1-(methoxymethyl)azetidine-2,4-dione.

Molecular Properties

Compound Name1-(methoxymethyl)azetidine-2,4-dione
PubChem CID91331247
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name1-(methoxymethyl)azetidine-2,4-dione
SMILESCOCN1C(=O)CC1=O
InChIInChI=1S/C5H7NO3/c1-9-3-6-4(7)2-5(6)8/h2-3H2,1H3
InChIKeyNHIDZDDTJXAZTK-UHFFFAOYSA-N
XLogP-0.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)azetidine-2,4-dione?
The IUPAC name of 1-(methoxymethyl)azetidine-2,4-dione (CID 91331247) is 1-(methoxymethyl)azetidine-2,4-dione.
What is the SMILES notation for 1-(methoxymethyl)azetidine-2,4-dione?
The canonical SMILES for 1-(methoxymethyl)azetidine-2,4-dione is COCN1C(=O)CC1=O.
What is the InChIKey of 1-(methoxymethyl)azetidine-2,4-dione?
The InChIKey is NHIDZDDTJXAZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-9-3-6-4(7)2-5(6)8/h2-3H2,1H3.
What are the key properties of 1-(methoxymethyl)azetidine-2,4-dione?
1-(methoxymethyl)azetidine-2,4-dione has a molecular weight of 129.11 g/mol, XLogP of -0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)azetidine-2,4-dione is sourced from PubChem (CID 91331247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).