1-methyl-3-methylideneazetidin-2-one

C5H7NO — CID 18714669

IUPAC1-methyl-3-methylideneazetidin-2-one
SMILESC=C1CN(C)C1=O
InChIInChI=1S/C5H7NO/c1-4-3-6(2)5(4)7/h1,3H2,2H3
InChIKeyNYQIMBAYCKZHEU-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.01
Rot. Bonds

About 1-methyl-3-methylideneazetidin-2-one

1-methyl-3-methylideneazetidin-2-one (PubChem CID 18714669) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 1-methyl-3-methylideneazetidin-2-one.

Molecular Properties

Compound Name1-methyl-3-methylideneazetidin-2-one
PubChem CID18714669
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name1-methyl-3-methylideneazetidin-2-one
SMILESC=C1CN(C)C1=O
InChIInChI=1S/C5H7NO/c1-4-3-6(2)5(4)7/h1,3H2,2H3
InChIKeyNYQIMBAYCKZHEU-UHFFFAOYSA-N
XLogP0.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.01
H-Bond Donors ≤ 50
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 1-methyl-3-methylideneazetidin-2-one?
The IUPAC name of 1-methyl-3-methylideneazetidin-2-one (CID 18714669) is 1-methyl-3-methylideneazetidin-2-one.
What is the SMILES notation for 1-methyl-3-methylideneazetidin-2-one?
The canonical SMILES for 1-methyl-3-methylideneazetidin-2-one is C=C1CN(C)C1=O.
What is the InChIKey of 1-methyl-3-methylideneazetidin-2-one?
The InChIKey is NYQIMBAYCKZHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-4-3-6(2)5(4)7/h1,3H2,2H3.
What are the key properties of 1-methyl-3-methylideneazetidin-2-one?
1-methyl-3-methylideneazetidin-2-one has a molecular weight of 97.12 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylideneazetidin-2-one is sourced from PubChem (CID 18714669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).