methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate

C14H15NO3 — CID 139041263

IUPACmethyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate
SMILESCOC(=O)/C=C(\c1ccccc1)N1CCCC1=O
InChIInChI=1S/C14H15NO3/c1-18-14(17)10-12(11-6-3-2-4-7-11)15-9-5-8-13(15)16/h2-4,6-7,10H,5,8-9H2,1H3/b12-10+
InChIKeyKRWMOXXZZFGKRF-ZRDIBKRKSA-N
MW245.28 g/mol
LogP1.82
Rot. Bonds3

About methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate

methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate (PubChem CID 139041263) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate
PubChem CID139041263
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate
SMILESCOC(=O)/C=C(\c1ccccc1)N1CCCC1=O
InChIInChI=1S/C14H15NO3/c1-18-14(17)10-12(11-6-3-2-4-7-11)15-9-5-8-13(15)16/h2-4,6-7,10H,5,8-9H2,1H3/b12-10+
InChIKeyKRWMOXXZZFGKRF-ZRDIBKRKSA-N
XLogP1.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 744955
1-benzyl-5-methoxy-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 11481653
methyl (4Z)-4-benzylidene-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 5340272
methyl 2-methyl-1-(4-methylbenzyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 754865
methyl 2-methyl-5-oxo-1-(1-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 2953069
(5E)-1-benzyl-5-(3,3,3-trifluoro-2-oxopropylidene)pyrrolidin-2-one
CID 102043509
2-Pyrrolidinone, 1-(1-phenylethenyl)-
CID 11019602
methyl (E)-3-(benzylamino)but-2-enoate
CID 12502823
methyl (4Z)-4-benzylidene-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 1737454
1-benzyl-5-methoxy-4-methyl-1,5-dihydro-2H-pyrrol-2-one
CID 5348219
ethyl (E)-3-phenyl-3-pyrrolidin-1-ylprop-2-enoate
CID 11107610
methyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate
CID 134920482

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate?
The IUPAC name of methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate (CID 139041263) is methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate?
The canonical SMILES for methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate is COC(=O)/C=C(\c1ccccc1)N1CCCC1=O.
What is the InChIKey of methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate?
The InChIKey is KRWMOXXZZFGKRF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-14(17)10-12(11-6-3-2-4-7-11)15-9-5-8-13(15)16/h2-4,6-7,10H,5,8-9H2,1H3/b12-10+.
What are the key properties of methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate?
methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate has a molecular weight of 245.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate is sourced from PubChem (CID 139041263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).