propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate

C16H19NO3 — CID 168683979

IUPACpropan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
SMILESC=CC1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1
InChIInChI=1S/C16H19NO3/c1-4-12-9-15(18)17(10-12)14-7-5-13(6-8-14)16(19)20-11(2)3/h4-8,11-12H,1,9-10H2,2-3H3
InChIKeyRXTMBYPAIQCHJL-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.79
Rot. Bonds4

About propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate

propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate (PubChem CID 168683979) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
PubChem CID168683979
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namepropan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
SMILESC=CC1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1
InChIInChI=1S/C16H19NO3/c1-4-12-9-15(18)17(10-12)14-7-5-13(6-8-14)16(19)20-11(2)3/h4-8,11-12H,1,9-10H2,2-3H3
InChIKeyRXTMBYPAIQCHJL-UHFFFAOYSA-N
XLogP2.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.79
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

ethyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684150
5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylic acid
CID 50888665
propan-2-yl 4-[4-(acetylsulfanylmethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168666331
methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168684351
4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
CID 168684610
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874
(4-chlorophenyl)methyl 5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 2982010
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 1218770
4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one
CID 168684103
methyl 3-chloro-5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684387
5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168686322
propan-2-yl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 40605759

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate (CID 168683979) is propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate is C=CC1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1.
What is the InChIKey of propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is RXTMBYPAIQCHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-12-9-15(18)17(10-12)14-7-5-13(6-8-14)16(19)20-11(2)3/h4-8,11-12H,1,9-10H2,2-3H3.
What are the key properties of propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate?
propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 273.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 168683979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).