1-methylazetidin-2-one;1-methylazetidin-3-one

C8H14N2O2 — CID 160543934

IUPAC1-methylazetidin-2-one;1-methylazetidin-3-one
SMILESCN1CC(=O)C1.CN1CCC1=O
InChIInChI=1S/2C4H7NO/c1-5-2-4(6)3-5;1-5-3-2-4(5)6/h2*2-3H2,1H3
InChIKeyQXEAPJUUKGFWKO-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.65
Rot. Bonds

About 1-methylazetidin-2-one;1-methylazetidin-3-one

1-methylazetidin-2-one;1-methylazetidin-3-one (PubChem CID 160543934) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-methylazetidin-2-one;1-methylazetidin-3-one.

Molecular Properties

Compound Name1-methylazetidin-2-one;1-methylazetidin-3-one
PubChem CID160543934
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-methylazetidin-2-one;1-methylazetidin-3-one
SMILESCN1CC(=O)C1.CN1CCC1=O
InChIInChI=1S/2C4H7NO/c1-5-2-4(6)3-5;1-5-3-2-4(5)6/h2*2-3H2,1H3
InChIKeyQXEAPJUUKGFWKO-UHFFFAOYSA-N
XLogP-0.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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CID 174894965
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Frequently Asked Questions

What is the IUPAC name of 1-methylazetidin-2-one;1-methylazetidin-3-one?
The IUPAC name of 1-methylazetidin-2-one;1-methylazetidin-3-one (CID 160543934) is 1-methylazetidin-2-one;1-methylazetidin-3-one.
What is the SMILES notation for 1-methylazetidin-2-one;1-methylazetidin-3-one?
The canonical SMILES for 1-methylazetidin-2-one;1-methylazetidin-3-one is CN1CC(=O)C1.CN1CCC1=O.
What is the InChIKey of 1-methylazetidin-2-one;1-methylazetidin-3-one?
The InChIKey is QXEAPJUUKGFWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7NO/c1-5-2-4(6)3-5;1-5-3-2-4(5)6/h2*2-3H2,1H3.
What are the key properties of 1-methylazetidin-2-one;1-methylazetidin-3-one?
1-methylazetidin-2-one;1-methylazetidin-3-one has a molecular weight of 170.21 g/mol, XLogP of -0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazetidin-2-one;1-methylazetidin-3-one is sourced from PubChem (CID 160543934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).