2-methyl-4-oxoazetidine-1-carbaldehyde

C5H7NO2 — CID 118219535

IUPAC2-methyl-4-oxoazetidine-1-carbaldehyde
SMILESCC1CC(=O)N1C=O
InChIInChI=1S/C5H7NO2/c1-4-2-5(8)6(4)3-7/h3-4H,2H2,1H3
InChIKeyBSYDGNLGNUPVTE-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.24
Rot. Bonds1

About 2-methyl-4-oxoazetidine-1-carbaldehyde

2-methyl-4-oxoazetidine-1-carbaldehyde (PubChem CID 118219535) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-methyl-4-oxoazetidine-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4-oxoazetidine-1-carbaldehyde
PubChem CID118219535
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name2-methyl-4-oxoazetidine-1-carbaldehyde
SMILESCC1CC(=O)N1C=O
InChIInChI=1S/C5H7NO2/c1-4-2-5(8)6(4)3-7/h3-4H,2H2,1H3
InChIKeyBSYDGNLGNUPVTE-UHFFFAOYSA-N
XLogP-0.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxoazetidine-1-carbaldehyde?
The IUPAC name of 2-methyl-4-oxoazetidine-1-carbaldehyde (CID 118219535) is 2-methyl-4-oxoazetidine-1-carbaldehyde.
What is the SMILES notation for 2-methyl-4-oxoazetidine-1-carbaldehyde?
The canonical SMILES for 2-methyl-4-oxoazetidine-1-carbaldehyde is CC1CC(=O)N1C=O.
What is the InChIKey of 2-methyl-4-oxoazetidine-1-carbaldehyde?
The InChIKey is BSYDGNLGNUPVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-4-2-5(8)6(4)3-7/h3-4H,2H2,1H3.
What are the key properties of 2-methyl-4-oxoazetidine-1-carbaldehyde?
2-methyl-4-oxoazetidine-1-carbaldehyde has a molecular weight of 113.12 g/mol, XLogP of -0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxoazetidine-1-carbaldehyde is sourced from PubChem (CID 118219535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).