methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate

C10H13NO3 — CID 91164598

IUPACmethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate
SMILESC=CN1CCC(C=CC(=O)OC)C1=O
InChIInChI=1S/C10H13NO3/c1-3-11-7-6-8(10(11)13)4-5-9(12)14-2/h3-5,8H,1,6-7H2,2H3
InChIKeyFIDPJVJHQXHGQZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.71
Rot. Bonds3

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

methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate (PubChem CID 91164598) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate
PubChem CID91164598
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate
SMILESC=CN1CCC(C=CC(=O)OC)C1=O
InChIInChI=1S/C10H13NO3/c1-3-11-7-6-8(10(11)13)4-5-9(12)14-2/h3-5,8H,1,6-7H2,2H3
InChIKeyFIDPJVJHQXHGQZ-UHFFFAOYSA-N
XLogP0.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.71
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

ethyl (E)-5-methyl-6-oxo-6-pyrrolidin-1-ylhex-2-enoate
CID 146168827
methyl (E)-5-(2,5-dioxopyrrolidin-1-yl)pent-2-enoate
CID 15632606
methyl (2E)-2-(1-methyl-5-oxopyrrolidin-2-ylidene)acetate
CID 15531191
3-(1-Ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid
CID 67876141
methyl (E)-3-(2-oxopyrrolidin-3-yl)prop-2-enoate
CID 68767701
Methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate
CID 68767704
Tert-butyl 3-(3-methoxy-3-oxoprop-1-enyl)-2-oxopyrrolidine-1-carboxylate
CID 68769512
Methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate
CID 69970443
3-(1-Buta-1,3-dienyl-1-ethenyl-2-oxopyrrolidin-1-ium-3-yl)prop-2-enoic acid;butyl prop-2-enoate
CID 88756186
Ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate
CID 90862551
Ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate
CID 91324235
Ethyl 3-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoate
CID 139627278

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate?
The IUPAC name of methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate (CID 91164598) is methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate is C=CN1CCC(C=CC(=O)OC)C1=O.
What is the InChIKey of methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate?
The InChIKey is FIDPJVJHQXHGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-11-7-6-8(10(11)13)4-5-9(12)14-2/h3-5,8H,1,6-7H2,2H3.
What are the key properties of methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate?
methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate has a molecular weight of 195.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate is sourced from PubChem (CID 91164598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).