methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate

C15H17NO4 — CID 72946801

IUPACmethyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
SMILESCOC(=O)/C=C(/c1ccccc1OC)N1CCCC1=O
InChIInChI=1S/C15H17NO4/c1-19-13-7-4-3-6-11(13)12(10-15(18)20-2)16-9-5-8-14(16)17/h3-4,6-7,10H,5,8-9H2,1-2H3/b12-10-
InChIKeyKGLGBWJUXLKNNT-BENRWUELSA-N
MW275.30 g/mol
LogP1.83
Rot. Bonds4

About methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate

methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate (PubChem CID 72946801) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
PubChem CID72946801
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
SMILESCOC(=O)/C=C(/c1ccccc1OC)N1CCCC1=O
InChIInChI=1S/C15H17NO4/c1-19-13-7-4-3-6-11(13)12(10-15(18)20-2)16-9-5-8-14(16)17/h3-4,6-7,10H,5,8-9H2,1-2H3/b12-10-
InChIKeyKGLGBWJUXLKNNT-BENRWUELSA-N
XLogP1.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate
CID 139041263
methyl 3-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 78030797
2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
CID 765144
1-[(Z)-2-(2-methoxyphenyl)ethenyl]pyrrolidin-2-one
CID 102415035
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 27171286
N'-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679226
2-methoxy-5-[(E)-3-oxo-3-(2-oxopiperidin-1-yl)prop-1-enyl]benzoic acid
CID 175257650
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79055855

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate (CID 72946801) is methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate is COC(=O)/C=C(/c1ccccc1OC)N1CCCC1=O.
What is the InChIKey of methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate?
The InChIKey is KGLGBWJUXLKNNT-BENRWUELSA-N. The full InChI is InChI=1S/C15H17NO4/c1-19-13-7-4-3-6-11(13)12(10-15(18)20-2)16-9-5-8-14(16)17/h3-4,6-7,10H,5,8-9H2,1-2H3/b12-10-.
What are the key properties of methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate?
methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate has a molecular weight of 275.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate is sourced from PubChem (CID 72946801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).