3-ethenylazetidin-2-one

C5H7NO — CID 13276908

IUPAC3-ethenylazetidin-2-one
SMILESC=CC1CNC1=O
InChIInChI=1S/C5H7NO/c1-2-4-3-6-5(4)7/h2,4H,1,3H2,(H,6,7)
InChIKeyKHBSQOFPJWQQDI-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.08
Rot. Bonds1

About 3-ethenylazetidin-2-one

3-ethenylazetidin-2-one (PubChem CID 13276908) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 3-ethenylazetidin-2-one.

Molecular Properties

Compound Name3-ethenylazetidin-2-one
PubChem CID13276908
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name3-ethenylazetidin-2-one
SMILESC=CC1CNC1=O
InChIInChI=1S/C5H7NO/c1-2-4-3-6-5(4)7/h2,4H,1,3H2,(H,6,7)
InChIKeyKHBSQOFPJWQQDI-UHFFFAOYSA-N
XLogP-0.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-ethenylpyrrolidin-2-one
CID 143588464
3-ethenylpyrrolidin-2-one;icos-1-ene
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4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one
CID 118203138
5-methyl-2-oxopiperidine-3-carbaldehyde
CID 130136468
(3R)-3-hydroxyazetidin-2-one
CID 97184618
3-ethenylpyrrolidin-2-one;1-propan-2-ylidenepiperidin-1-ium;chloride
CID 174932057
5-ethenyl-1,3-oxazolidin-2-one
CID 55286544
(3S)-3-ethenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 143582552
3-azabicyclo[3.1.1]heptan-2-one
CID 73425066
(3S,4R)-3,4-diaminopyrrolidin-2-one
CID 55291509
5-prop-2-enylpiperidine-2,4-dione
CID 90034636
2-ethenylcyclodecan-1-one
CID 12935863

Frequently Asked Questions

What is the IUPAC name of 3-ethenylazetidin-2-one?
The IUPAC name of 3-ethenylazetidin-2-one (CID 13276908) is 3-ethenylazetidin-2-one.
What is the SMILES notation for 3-ethenylazetidin-2-one?
The canonical SMILES for 3-ethenylazetidin-2-one is C=CC1CNC1=O.
What is the InChIKey of 3-ethenylazetidin-2-one?
The InChIKey is KHBSQOFPJWQQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-2-4-3-6-5(4)7/h2,4H,1,3H2,(H,6,7).
What are the key properties of 3-ethenylazetidin-2-one?
3-ethenylazetidin-2-one has a molecular weight of 97.12 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylazetidin-2-one is sourced from PubChem (CID 13276908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).