2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate

C14H20N2O4 — CID 158590907

IUPAC2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate
SMILESC=CN1CCC(C(=O)NCCOC(=O)/C(C)=C\C)C1=O
InChIInChI=1S/C14H20N2O4/c1-4-10(3)14(19)20-9-7-15-12(17)11-6-8-16(5-2)13(11)18/h4-5,11H,2,6-9H2,1,3H3,(H,15,17)/b10-4-
InChIKeyDXKYDJGEHHMUNY-WMZJFQQLSA-N
MW280.32 g/mol
LogP0.60
Rot. Bonds6

About 2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate

2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate (PubChem CID 158590907) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate.

Molecular Properties

Compound Name2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate
PubChem CID158590907
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate
SMILESC=CN1CCC(C(=O)NCCOC(=O)/C(C)=C\C)C1=O
InChIInChI=1S/C14H20N2O4/c1-4-10(3)14(19)20-9-7-15-12(17)11-6-8-16(5-2)13(11)18/h4-5,11H,2,6-9H2,1,3H3,(H,15,17)/b10-4-
InChIKeyDXKYDJGEHHMUNY-WMZJFQQLSA-N
XLogP0.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-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

6-[(Z)-2-methylbut-2-enoyl]oxyhexyl 1-ethenyl-2-oxopyrrolidine-3-carboxylate
CID 158590908
1-ethenyl-2-oxopyrrolidine-3-carboxamide
CID 134257442
(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92750576
(3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide
CID 92725773
2-[[2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]piperidine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 14669980
4-[2-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-oxoethyl]benzenesulfinate
CID 142075603
2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118535175
(3R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 93331110
3-ethenylazepan-2-one;3-(1-ethenyl-2-oxopyrrolidin-3-yl)-3-(prop-2-enylamino)prop-2-enoic acid
CID 121267060
ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate
CID 139994557
1-ethenyl-3-propan-2-ylpyrrolidin-2-one
CID 102267367
2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 166799947

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate?
The IUPAC name of 2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate (CID 158590907) is 2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate.
What is the SMILES notation for 2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate?
The canonical SMILES for 2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate is C=CN1CCC(C(=O)NCCOC(=O)/C(C)=C\C)C1=O.
What is the InChIKey of 2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate?
The InChIKey is DXKYDJGEHHMUNY-WMZJFQQLSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-10(3)14(19)20-9-7-15-12(17)11-6-8-16(5-2)13(11)18/h4-5,11H,2,6-9H2,1,3H3,(H,15,17)/b10-4-.
What are the key properties of 2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate?
2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate has a molecular weight of 280.32 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate is sourced from PubChem (CID 158590907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).