methyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate

C11H17NO3 — CID 77074491

IUPACmethyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate
SMILESCOC(=O)C(C)=CCN1CC(C)CC1=O
InChIInChI=1S/C11H17NO3/c1-8-6-10(13)12(7-8)5-4-9(2)11(14)15-3/h4,8H,5-7H2,1-3H3
InChIKeyFFVKWOQLVCTEEN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.97
Rot. Bonds3

About methyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate

methyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate (PubChem CID 77074491) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate
PubChem CID77074491
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate
SMILESCOC(=O)C(C)=CCN1CC(C)CC1=O
InChIInChI=1S/C11H17NO3/c1-8-6-10(13)12(7-8)5-4-9(2)11(14)15-3/h4,8H,5-7H2,1-3H3
InChIKeyFFVKWOQLVCTEEN-UHFFFAOYSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-5-oxo-2,5-dihydro-1h-pyrrole-3-carboxylic acid methyl ester
CID 11769448
(2-Oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoatato
CID 18414897
3-(2-Oxopyrrolidin-1-yl)propyl but-2-enoate
CID 66609951
Methyl 2-methylprop-2-enoate;1-pyrrolidin-1-ylprop-2-en-1-one
CID 70414789
(1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate
CID 135170553
(1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) 2-methylpropanoate
CID 135170753
[2-Methyl-4-(2-oxopyrrolidin-1-yl)butyl] 2-methylprop-2-enoate
CID 139715945
[3-Methyl-4-(2-oxopyrrolidin-1-yl)butyl] 2-methylprop-2-enoate
CID 139715961
methyl (E)-2-methyl-3-(2-oxo-1-propylpyrrolidin-3-yl)prop-2-enoate
CID 140050619
2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate
CID 142474413
ethane;methyl (E)-4-(3-methylpyrrolidin-1-yl)but-2-enoate
CID 144722924
methyl (E)-4-(3-methylpyrrolidin-1-yl)but-2-enoate
CID 144722925

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate?
The IUPAC name of methyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate (CID 77074491) is methyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate.
What is the SMILES notation for methyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate?
The canonical SMILES for methyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate is COC(=O)C(C)=CCN1CC(C)CC1=O.
What is the InChIKey of methyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate?
The InChIKey is FFVKWOQLVCTEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8-6-10(13)12(7-8)5-4-9(2)11(14)15-3/h4,8H,5-7H2,1-3H3.
What are the key properties of methyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate?
methyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate has a molecular weight of 211.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(4-methyl-2-oxopyrrolidin-1-yl)but-2-enoate is sourced from PubChem (CID 77074491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).