ethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate

C11H16N2O4 — CID 103255143

IUPACethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate
SMILESC=C(CNC1CC(=O)N(C)C1=O)C(=O)OCC
InChIInChI=1S/C11H16N2O4/c1-4-17-11(16)7(2)6-12-8-5-9(14)13(3)10(8)15/h8,12H,2,4-6H2,1,3H3
InChIKeySNXLOUFKVDDQHC-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.55
Rot. Bonds5

About ethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate

ethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate (PubChem CID 103255143) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate
PubChem CID103255143
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate
SMILESC=C(CNC1CC(=O)N(C)C1=O)C(=O)OCC
InChIInChI=1S/C11H16N2O4/c1-4-17-11(16)7(2)6-12-8-5-9(14)13(3)10(8)15/h8,12H,2,4-6H2,1,3H3
InChIKeySNXLOUFKVDDQHC-UHFFFAOYSA-N
XLogP-0.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate (CID 103255143) is ethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate is C=C(CNC1CC(=O)N(C)C1=O)C(=O)OCC.
What is the InChIKey of ethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate?
The InChIKey is SNXLOUFKVDDQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-17-11(16)7(2)6-12-8-5-9(14)13(3)10(8)15/h8,12H,2,4-6H2,1,3H3.
What are the key properties of ethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate?
ethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate has a molecular weight of 240.26 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]prop-2-enoate is sourced from PubChem (CID 103255143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).