2-oxoazetidine-1-carbaldehyde

C4H5NO2 — CID 19839031

IUPAC2-oxoazetidine-1-carbaldehyde
SMILESO=CN1CCC1=O
InChIInChI=1S/C4H5NO2/c6-3-5-2-1-4(5)7/h3H,1-2H2
InChIKeyRERRYJMOMKQGKH-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.62
Rot. Bonds1

About 2-oxoazetidine-1-carbaldehyde

2-oxoazetidine-1-carbaldehyde (PubChem CID 19839031) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 2-oxoazetidine-1-carbaldehyde.

Molecular Properties

Compound Name2-oxoazetidine-1-carbaldehyde
PubChem CID19839031
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name2-oxoazetidine-1-carbaldehyde
SMILESO=CN1CCC1=O
InChIInChI=1S/C4H5NO2/c6-3-5-2-1-4(5)7/h3H,1-2H2
InChIKeyRERRYJMOMKQGKH-UHFFFAOYSA-N
XLogP-0.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methylazetidin-2-one
CID 137674
1-(Hydroxymethyl)azetidin-2-one
CID 19349766
CID 135032071
CID 135032071
1-Propanoylazetidin-2-one
CID 10942427
1-Acetylazetidin-2-one
CID 13738257
Methyl 2-oxoazetidine-1-carboxylate
CID 14382434
1-Methylazetidine-2,4-dione
CID 20283206
1-Ethylazetidine-2,4-dione
CID 20644265
3-(2-Oxoazetidin-1-yl)prop-2-ynal
CID 88601856
2-Oxoazetidine-1-carbonyl iodide
CID 89257637
1-(Methoxymethyl)azetidine-2,4-dione
CID 91331247
2-Methyl-4-oxoazetidine-1-carbaldehyde
CID 118219535

Frequently Asked Questions

What is the IUPAC name of 2-oxoazetidine-1-carbaldehyde?
The IUPAC name of 2-oxoazetidine-1-carbaldehyde (CID 19839031) is 2-oxoazetidine-1-carbaldehyde.
What is the SMILES notation for 2-oxoazetidine-1-carbaldehyde?
The canonical SMILES for 2-oxoazetidine-1-carbaldehyde is O=CN1CCC1=O.
What is the InChIKey of 2-oxoazetidine-1-carbaldehyde?
The InChIKey is RERRYJMOMKQGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c6-3-5-2-1-4(5)7/h3H,1-2H2.
What are the key properties of 2-oxoazetidine-1-carbaldehyde?
2-oxoazetidine-1-carbaldehyde has a molecular weight of 99.09 g/mol, XLogP of -0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoazetidine-1-carbaldehyde is sourced from PubChem (CID 19839031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).