1-(2-methylprop-2-enoyl)azetidin-2-one

C7H9NO2 — CID 45087815

IUPAC1-(2-methylprop-2-enoyl)azetidin-2-one
SMILESC=C(C)C(=O)N1CCC1=O
InChIInChI=1S/C7H9NO2/c1-5(2)7(10)8-4-3-6(8)9/h1,3-4H2,2H3
InChIKeyHNIXKEFDEIDXLP-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.32
Rot. Bonds1

About 1-(2-methylprop-2-enoyl)azetidin-2-one

1-(2-methylprop-2-enoyl)azetidin-2-one (PubChem CID 45087815) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoyl)azetidin-2-one.

Molecular Properties

Compound Name1-(2-methylprop-2-enoyl)azetidin-2-one
PubChem CID45087815
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-(2-methylprop-2-enoyl)azetidin-2-one
SMILESC=C(C)C(=O)N1CCC1=O
InChIInChI=1S/C7H9NO2/c1-5(2)7(10)8-4-3-6(8)9/h1,3-4H2,2H3
InChIKeyHNIXKEFDEIDXLP-UHFFFAOYSA-N
XLogP0.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Methyl-N-(2-methyl-1-oxoallyl)methacrylamide
CID 81838
2-Azetidinone, 1-butyl-3-methylene-
CID 11819148
4-Fluoro-1-(2-methylprop-2-enoyl)azetidin-2-one
CID 58165598
1-(3,3-Difluoroazetidin-1-yl)-2-methylprop-2-en-1-one
CID 176972446
1-(Azetidin-1-yl)-2-methylprop-2-en-1-one
CID 22007221
1-(3-Methoxypropyl)-3-methylene-2-azetidinone
CID 13860635
1-(2-Methylprop-2-enyl)azetidin-2-one
CID 45087251
(3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one
CID 101147659
3-Iodo-1-(2-methylprop-2-enyl)azetidin-2-one
CID 134856191
3-Methylidene-1-(2-methylpropyl)azetidin-2-one
CID 134907447
1-(3-Methylideneazetidin-1-yl)ethanone
CID 10796717
1-Methyl-3-methylideneazetidin-2-one
CID 18714669

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoyl)azetidin-2-one?
The IUPAC name of 1-(2-methylprop-2-enoyl)azetidin-2-one (CID 45087815) is 1-(2-methylprop-2-enoyl)azetidin-2-one.
What is the SMILES notation for 1-(2-methylprop-2-enoyl)azetidin-2-one?
The canonical SMILES for 1-(2-methylprop-2-enoyl)azetidin-2-one is C=C(C)C(=O)N1CCC1=O.
What is the InChIKey of 1-(2-methylprop-2-enoyl)azetidin-2-one?
The InChIKey is HNIXKEFDEIDXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5(2)7(10)8-4-3-6(8)9/h1,3-4H2,2H3.
What are the key properties of 1-(2-methylprop-2-enoyl)azetidin-2-one?
1-(2-methylprop-2-enoyl)azetidin-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoyl)azetidin-2-one is sourced from PubChem (CID 45087815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).