methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate

C13H14N2O3 — CID 70076895

IUPACmethyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-18-12(16)7-4-10-2-5-11(6-3-10)15-9-8-14-13(15)17/h2-7H,8-9H2,1H3,(H,14,17)
InChIKeyNHXISGRZVMRDFX-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.40
Rot. Bonds3

About methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate

methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate (PubChem CID 70076895) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
PubChem CID70076895
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-18-12(16)7-4-10-2-5-11(6-3-10)15-9-8-14-13(15)17/h2-7H,8-9H2,1H3,(H,14,17)
InChIKeyNHXISGRZVMRDFX-UHFFFAOYSA-N
XLogP1.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
CID 141319024
methyl 3-[3-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
CID 70075367
(E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
CID 46525062
1-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]imidazolidin-2-one
CID 91755025
methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate
CID 169479706
methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 91689830
(E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
CID 46680617
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
CID 46680665
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate
CID 101358930
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
(E)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 134048303

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate?
The IUPAC name of methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate (CID 70076895) is methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate is COC(=O)C=Cc1ccc(N2CCNC2=O)cc1.
What is the InChIKey of methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate?
The InChIKey is NHXISGRZVMRDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-12(16)7-4-10-2-5-11(6-3-10)15-9-8-14-13(15)17/h2-7H,8-9H2,1H3,(H,14,17).
What are the key properties of methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate?
methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate has a molecular weight of 246.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate is sourced from PubChem (CID 70076895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).