1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one

C14H15NO3 — CID 168686516

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cccc3c2OCCO3)C1
InChIInChI=1S/C14H15NO3/c1-2-10-8-13(16)15(9-10)11-4-3-5-12-14(11)18-7-6-17-12/h2-5,10H,1,6-9H2
InChIKeyXMZKSAUYXXXHAJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.00
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one (PubChem CID 168686516) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one
PubChem CID168686516
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cccc3c2OCCO3)C1
InChIInChI=1S/C14H15NO3/c1-2-10-8-13(16)15(9-10)11-4-3-5-12-14(11)18-7-6-17-12/h2-5,10H,1,6-9H2
InChIKeyXMZKSAUYXXXHAJ-UHFFFAOYSA-N
XLogP2.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-2-one
CID 168509517
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664142
4-ethenyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168686481
1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168685419
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-6-methylbenzoic acid
CID 168685006
1-(1,3-benzodioxol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 82017994
5-bromo-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzaldehyde
CID 168685774
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one
CID 168685715
4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
N-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzamide
CID 168686066
4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one
CID 168684209

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one (CID 168686516) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cccc3c2OCCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one?
The InChIKey is XMZKSAUYXXXHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-10-8-13(16)15(9-10)11-4-3-5-12-14(11)18-7-6-17-12/h2-5,10H,1,6-9H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one has a molecular weight of 245.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168686516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).