3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

C19H22N2O7 — CID 117054364

IUPAC3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESCOc1cc(/C=C/C(=O)N2CCC(N3C(=O)COC3=O)C2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O7/c1-25-14-8-12(9-15(26-2)18(14)27-3)4-5-16(22)20-7-6-13(10-20)21-17(23)11-28-19(21)24/h4-5,8-9,13H,6-7,10-11H2,1-3H3/b5-4+
InChIKeyLUBDERAHDDTZPR-SNAWJCMRSA-N
MW390.39 g/mol
LogP1.31
Rot. Bonds6

About 3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 117054364) has the molecular formula C19H22N2O7 and a molecular weight of 390.39 g/mol. Its IUPAC name is 3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID117054364
Molecular FormulaC19H22N2O7
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC Name3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESCOc1cc(/C=C/C(=O)N2CCC(N3C(=O)COC3=O)C2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O7/c1-25-14-8-12(9-15(26-2)18(14)27-3)4-5-16(22)20-7-6-13(10-20)21-17(23)11-28-19(21)24/h4-5,8-9,13H,6-7,10-11H2,1-3H3/b5-4+
InChIKeyLUBDERAHDDTZPR-SNAWJCMRSA-N
XLogP1.31
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione 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

3-[(3S)-1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727854
3-[1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159899
(E)-1-(4-methylsulfonylpiperidin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90585187
3-(3,4,5-trimethoxyphenyl)-1-[6-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,6-diazecan-1-yl]prop-2-en-1-one
CID 162851522
(E)-1-piperidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 1051540
(E)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90636130
1-[8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
CID 117054346
1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one
CID 689050
4-methyl-5-(trifluoromethyl)-2-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 122268596
tert-butyl N-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]carbamate
CID 55736349
3-[1-(2-bromo-5-methoxybenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 91814964
(E)-1-[3-(4-chlorophenyl)azepan-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 121146523

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 117054364) is 3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is COc1cc(/C=C/C(=O)N2CCC(N3C(=O)COC3=O)C2)cc(OC)c1OC.
What is the InChIKey of 3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is LUBDERAHDDTZPR-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H22N2O7/c1-25-14-8-12(9-15(26-2)18(14)27-3)4-5-16(22)20-7-6-13(10-20)21-17(23)11-28-19(21)24/h4-5,8-9,13H,6-7,10-11H2,1-3H3/b5-4+.
What are the key properties of 3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 390.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 117054364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).