4-methylazetidine-2,3-dione

C4H5NO2 — CID 141376893

IUPAC4-methylazetidine-2,3-dione
SMILESCC1NC(=O)C1=O
InChIInChI=1S/C4H5NO2/c1-2-3(6)4(7)5-2/h2H,1H3,(H,5,7)
InChIKeyDQGVWEZQFNLLEM-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.93
Rot. Bonds

About 4-methylazetidine-2,3-dione

4-methylazetidine-2,3-dione (PubChem CID 141376893) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 4-methylazetidine-2,3-dione.

Molecular Properties

Compound Name4-methylazetidine-2,3-dione
PubChem CID141376893
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name4-methylazetidine-2,3-dione
SMILESCC1NC(=O)C1=O
InChIInChI=1S/C4H5NO2/c1-2-3(6)4(7)5-2/h2H,1H3,(H,5,7)
InChIKeyDQGVWEZQFNLLEM-UHFFFAOYSA-N
XLogP-0.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylazetidine-2,3-dione?
The IUPAC name of 4-methylazetidine-2,3-dione (CID 141376893) is 4-methylazetidine-2,3-dione.
What is the SMILES notation for 4-methylazetidine-2,3-dione?
The canonical SMILES for 4-methylazetidine-2,3-dione is CC1NC(=O)C1=O.
What is the InChIKey of 4-methylazetidine-2,3-dione?
The InChIKey is DQGVWEZQFNLLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c1-2-3(6)4(7)5-2/h2H,1H3,(H,5,7).
What are the key properties of 4-methylazetidine-2,3-dione?
4-methylazetidine-2,3-dione has a molecular weight of 99.09 g/mol, XLogP of -0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylazetidine-2,3-dione is sourced from PubChem (CID 141376893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).