prop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one

C10H17NO4 — CID 68640142

IUPACprop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one
SMILESC=CCOC(=O)C(C)O.O=C1CCCN1
InChIInChI=1S/C6H10O3.C4H7NO/c1-3-4-9-6(8)5(2)7;6-4-2-1-3-5-4/h3,5,7H,1,4H2,2H3;1-3H2,(H,5,6)
InChIKeyZBOAJZVZSXIKBJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.01
Rot. Bonds3

About prop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one

prop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one (PubChem CID 68640142) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is prop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one.

Molecular Properties

Compound Nameprop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one
PubChem CID68640142
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameprop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one
SMILESC=CCOC(=O)C(C)O.O=C1CCCN1
InChIInChI=1S/C6H10O3.C4H7NO/c1-3-4-9-6(8)5(2)7;6-4-2-1-3-5-4/h3,5,7H,1,4H2,2H3;1-3H2,(H,5,6)
InChIKeyZBOAJZVZSXIKBJ-UHFFFAOYSA-N
XLogP-0.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one?
The IUPAC name of prop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one (CID 68640142) is prop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one.
What is the SMILES notation for prop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one?
The canonical SMILES for prop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one is C=CCOC(=O)C(C)O.O=C1CCCN1.
What is the InChIKey of prop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one?
The InChIKey is ZBOAJZVZSXIKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H7NO/c1-3-4-9-6(8)5(2)7;6-4-2-1-3-5-4/h3,5,7H,1,4H2,2H3;1-3H2,(H,5,6).
What are the key properties of prop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one?
prop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one has a molecular weight of 215.25 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-hydroxypropanoate;pyrrolidin-2-one is sourced from PubChem (CID 68640142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).