2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one

C9H15NO4 — CID 157296490

IUPAC2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one
SMILESC=CC(=O)OCCO.O=C1CCCN1
InChIInChI=1S/C5H8O3.C4H7NO/c1-2-5(7)8-4-3-6;6-4-2-1-3-5-4/h2,6H,1,3-4H2;1-3H2,(H,5,6)
InChIKeyBBKGBCUMLXFNRW-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.40
Rot. Bonds3

About 2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one

2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one (PubChem CID 157296490) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one.

Molecular Properties

Compound Name2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one
PubChem CID157296490
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one
SMILESC=CC(=O)OCCO.O=C1CCCN1
InChIInChI=1S/C5H8O3.C4H7NO/c1-2-5(7)8-4-3-6;6-4-2-1-3-5-4/h2,6H,1,3-4H2;1-3H2,(H,5,6)
InChIKeyBBKGBCUMLXFNRW-UHFFFAOYSA-N
XLogP-0.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Nvp hea
CID 68417077
Ethyl prop-2-enoate;pyrrolidin-2-one
CID 67427827
Ethenyl prop-2-enoate;pyrrolidin-2-one
CID 68619788
Prop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one
CID 68640142
Ethyl 2-hydroxyprop-2-enoate;pyrrolidin-2-one
CID 70284081
2-Hydroxyethyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 118498936

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one?
The IUPAC name of 2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one (CID 157296490) is 2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one.
What is the SMILES notation for 2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one?
The canonical SMILES for 2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one is C=CC(=O)OCCO.O=C1CCCN1.
What is the InChIKey of 2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one?
The InChIKey is BBKGBCUMLXFNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C4H7NO/c1-2-5(7)8-4-3-6;6-4-2-1-3-5-4/h2,6H,1,3-4H2;1-3H2,(H,5,6).
What are the key properties of 2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one?
2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one has a molecular weight of 201.22 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl prop-2-enoate;pyrrolidin-2-one is sourced from PubChem (CID 157296490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).