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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Related Compounds

(5S,6S)-5,6-dimethylpiperazine-2,3-dione
CID 162361681
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
3-methyl-6-methylidenepiperazine-2,5-dione
CID 45117239
(5S)-5-methyl-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,4-dione
CID 15858594
3,3,5-trimethylpyrrolidine-2,4-dione
CID 55299893
4-hydroxyazetidine-2,3-dione
CID 56621119
(2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one
CID 142677150
(7S)-4-methoxy-7-methylazepane-2,5,6-trione
CID 57123881
5,6-dichloro-3-methyl-2,3-dihydroisoindol-1-one
CID 130012400
5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one
CID 134923795
(4R)-3,3,4-trimethylazetidin-2-one
CID 59064361
4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one
CID 123297761

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).