4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one

C9H13NO2 — CID 168685168

IUPAC4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C2COC2)C1
InChIInChI=1S/C9H13NO2/c1-2-7-3-9(11)10(4-7)8-5-12-6-8/h2,7-8H,1,3-6H2
InChIKeyIBCHECLZJKNYFY-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.42
Rot. Bonds2

About 4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one

4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one (PubChem CID 168685168) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one
PubChem CID168685168
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C2COC2)C1
InChIInChI=1S/C9H13NO2/c1-2-7-3-9(11)10(4-7)8-5-12-6-8/h2,7-8H,1,3-6H2
InChIKeyIBCHECLZJKNYFY-UHFFFAOYSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one (CID 168685168) is 4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one is C=CC1CC(=O)N(C2COC2)C1.
What is the InChIKey of 4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one?
The InChIKey is IBCHECLZJKNYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-7-3-9(11)10(4-7)8-5-12-6-8/h2,7-8H,1,3-6H2.
What are the key properties of 4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one?
4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 168685168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).