ethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one

C9H15NO4 — CID 70284081

IUPACethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one
SMILESC=C(O)C(=O)OCC.O=C1CCCN1
InChIInChI=1S/C5H8O3.C4H7NO/c1-3-8-5(7)4(2)6;6-4-2-1-3-5-4/h6H,2-3H2,1H3;1-3H2,(H,5,6)
InChIKeyOQOBQYPYDQQJMZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.52
Rot. Bonds2

About ethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one

ethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one (PubChem CID 70284081) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one.

Molecular Properties

Compound Nameethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one
PubChem CID70284081
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one
SMILESC=C(O)C(=O)OCC.O=C1CCCN1
InChIInChI=1S/C5H8O3.C4H7NO/c1-3-8-5(7)4(2)6;6-4-2-1-3-5-4/h6H,2-3H2,1H3;1-3H2,(H,5,6)
InChIKeyOQOBQYPYDQQJMZ-UHFFFAOYSA-N
XLogP0.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one?
The IUPAC name of ethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one (CID 70284081) is ethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one.
What is the SMILES notation for ethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one?
The canonical SMILES for ethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one is C=C(O)C(=O)OCC.O=C1CCCN1.
What is the InChIKey of ethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one?
The InChIKey is OQOBQYPYDQQJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C4H7NO/c1-3-8-5(7)4(2)6;6-4-2-1-3-5-4/h6H,2-3H2,1H3;1-3H2,(H,5,6).
What are the key properties of ethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one?
ethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one has a molecular weight of 201.22 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one is sourced from PubChem (CID 70284081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).