3-ethylideneazetidin-2-one

C5H7NO — CID 71337258

IUPAC3-ethylideneazetidin-2-one
SMILESCC=C1CNC1=O
InChIInChI=1S/C5H7NO/c1-2-4-3-6-5(4)7/h2H,3H2,1H3,(H,6,7)
InChIKeyJZZAQIAMLCIJQP-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.06
Rot. Bonds

About 3-ethylideneazetidin-2-one

3-ethylideneazetidin-2-one (PubChem CID 71337258) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 3-ethylideneazetidin-2-one.

Molecular Properties

Compound Name3-ethylideneazetidin-2-one
PubChem CID71337258
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name3-ethylideneazetidin-2-one
SMILESCC=C1CNC1=O
InChIInChI=1S/C5H7NO/c1-2-4-3-6-5(4)7/h2H,3H2,1H3,(H,6,7)
InChIKeyJZZAQIAMLCIJQP-UHFFFAOYSA-N
XLogP0.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylideneazetidin-2-one?
The IUPAC name of 3-ethylideneazetidin-2-one (CID 71337258) is 3-ethylideneazetidin-2-one.
What is the SMILES notation for 3-ethylideneazetidin-2-one?
The canonical SMILES for 3-ethylideneazetidin-2-one is CC=C1CNC1=O.
What is the InChIKey of 3-ethylideneazetidin-2-one?
The InChIKey is JZZAQIAMLCIJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-2-4-3-6-5(4)7/h2H,3H2,1H3,(H,6,7).
What are the key properties of 3-ethylideneazetidin-2-one?
3-ethylideneazetidin-2-one has a molecular weight of 97.12 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylideneazetidin-2-one is sourced from PubChem (CID 71337258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).