5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one

C11H14N2O — CID 156640941

IUPAC5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one
SMILESC=C(c1ccc(=O)[nH]c1)N1CC(C)C1
InChIInChI=1S/C11H14N2O/c1-8-6-13(7-8)9(2)10-3-4-11(14)12-5-10/h3-5,8H,2,6-7H2,1H3,(H,12,14)
InChIKeyZLGJFJTWRHUIHK-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.30
Rot. Bonds2

About 5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one

5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one (PubChem CID 156640941) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one
PubChem CID156640941
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one
SMILESC=C(c1ccc(=O)[nH]c1)N1CC(C)C1
InChIInChI=1S/C11H14N2O/c1-8-6-13(7-8)9(2)10-3-4-11(14)12-5-10/h3-5,8H,2,6-7H2,1H3,(H,12,14)
InChIKeyZLGJFJTWRHUIHK-UHFFFAOYSA-N
XLogP1.30
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one (CID 156640941) is 5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one is C=C(c1ccc(=O)[nH]c1)N1CC(C)C1.
What is the InChIKey of 5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one?
The InChIKey is ZLGJFJTWRHUIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-6-13(7-8)9(2)10-3-4-11(14)12-5-10/h3-5,8H,2,6-7H2,1H3,(H,12,14).
What are the key properties of 5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one?
5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 156640941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).