(3-methoxyazetidin-2-ylidene)methanone

C5H7NO2 — CID 18957077

IUPAC(3-methoxyazetidin-2-ylidene)methanone
SMILESCOC1CNC1=C=O
InChIInChI=1S/C5H7NO2/c1-8-5-2-6-4(5)3-7/h5-6H,2H2,1H3
InChIKeyZCGGAALXJGQBEI-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.68
Rot. Bonds1

About (3-methoxyazetidin-2-ylidene)methanone

(3-methoxyazetidin-2-ylidene)methanone (PubChem CID 18957077) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is (3-methoxyazetidin-2-ylidene)methanone.

Molecular Properties

Compound Name(3-methoxyazetidin-2-ylidene)methanone
PubChem CID18957077
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name(3-methoxyazetidin-2-ylidene)methanone
SMILESCOC1CNC1=C=O
InChIInChI=1S/C5H7NO2/c1-8-5-2-6-4(5)3-7/h5-6H,2H2,1H3
InChIKeyZCGGAALXJGQBEI-UHFFFAOYSA-N
XLogP-0.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyazetidin-2-ylidene)methanone?
The IUPAC name of (3-methoxyazetidin-2-ylidene)methanone (CID 18957077) is (3-methoxyazetidin-2-ylidene)methanone.
What is the SMILES notation for (3-methoxyazetidin-2-ylidene)methanone?
The canonical SMILES for (3-methoxyazetidin-2-ylidene)methanone is COC1CNC1=C=O.
What is the InChIKey of (3-methoxyazetidin-2-ylidene)methanone?
The InChIKey is ZCGGAALXJGQBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-8-5-2-6-4(5)3-7/h5-6H,2H2,1H3.
What are the key properties of (3-methoxyazetidin-2-ylidene)methanone?
(3-methoxyazetidin-2-ylidene)methanone has a molecular weight of 113.12 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyazetidin-2-ylidene)methanone is sourced from PubChem (CID 18957077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).