ethenyl but-3-enoate;pyrrolidin-2-one

C10H15NO3 — CID 67279694

IUPACethenyl but-3-enoate;pyrrolidin-2-one
SMILESC=CCC(=O)OC=C.O=C1CCCN1
InChIInChI=1S/C6H8O2.C4H7NO/c1-3-5-6(7)8-4-2;6-4-2-1-3-5-4/h3-4H,1-2,5H2;1-3H2,(H,5,6)
InChIKeyPJKZMRVKRVDNIV-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.15
Rot. Bonds3

About ethenyl but-3-enoate;pyrrolidin-2-one

ethenyl but-3-enoate;pyrrolidin-2-one (PubChem CID 67279694) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethenyl but-3-enoate;pyrrolidin-2-one.

Molecular Properties

Compound Nameethenyl but-3-enoate;pyrrolidin-2-one
PubChem CID67279694
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethenyl but-3-enoate;pyrrolidin-2-one
SMILESC=CCC(=O)OC=C.O=C1CCCN1
InChIInChI=1S/C6H8O2.C4H7NO/c1-3-5-6(7)8-4-2;6-4-2-1-3-5-4/h3-4H,1-2,5H2;1-3H2,(H,5,6)
InChIKeyPJKZMRVKRVDNIV-UHFFFAOYSA-N
XLogP1.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethenyl acetate;pyrrolidin-2-one
CID 21940865
Ethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate
CID 66730351
Ethenyl prop-2-enoate;pyrrolidin-2-one
CID 68619788
But-3-enoic acid;pyrrolidin-2-one
CID 69479250
2-(2-Oxopyrrolidin-1-yl)ethenyl but-3-enoate
CID 69534132
3-(5-Oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate
CID 70359983
Ethenyl acetate;3-ethenylpyrrolidin-2-one
CID 142701411
But-3-enoic acid;ethene;pyrrolidin-2-one
CID 157363555
3H-furan-2-one;pyrrolidine
CID 158072997
Ethenyl acetate;4-ethenylpyrrolidin-2-one
CID 159489699
Ethene;ethenyl acetate;pyrrolidin-2-one
CID 162186699
Ethenyl propanoate;pyrrolidin-2-one
CID 174943137

Frequently Asked Questions

What is the IUPAC name of ethenyl but-3-enoate;pyrrolidin-2-one?
The IUPAC name of ethenyl but-3-enoate;pyrrolidin-2-one (CID 67279694) is ethenyl but-3-enoate;pyrrolidin-2-one.
What is the SMILES notation for ethenyl but-3-enoate;pyrrolidin-2-one?
The canonical SMILES for ethenyl but-3-enoate;pyrrolidin-2-one is C=CCC(=O)OC=C.O=C1CCCN1.
What is the InChIKey of ethenyl but-3-enoate;pyrrolidin-2-one?
The InChIKey is PJKZMRVKRVDNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.C4H7NO/c1-3-5-6(7)8-4-2;6-4-2-1-3-5-4/h3-4H,1-2,5H2;1-3H2,(H,5,6).
What are the key properties of ethenyl but-3-enoate;pyrrolidin-2-one?
ethenyl but-3-enoate;pyrrolidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl but-3-enoate;pyrrolidin-2-one is sourced from PubChem (CID 67279694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).