ethenyl prop-2-enoate;pyrrolidin-2-one

C9H13NO3 — CID 68619788

IUPACethenyl prop-2-enoate;pyrrolidin-2-one
SMILESC=COC(=O)C=C.O=C1CCCN1
InChIInChI=1S/C5H6O2.C4H7NO/c1-3-5(6)7-4-2;6-4-2-1-3-5-4/h3-4H,1-2H2;1-3H2,(H,5,6)
InChIKeyFYTNRXSQGDWQGN-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.76
Rot. Bonds2

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

ethenyl prop-2-enoate;pyrrolidin-2-one (PubChem CID 68619788) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethenyl prop-2-enoate;pyrrolidin-2-one.

Molecular Properties

Compound Nameethenyl prop-2-enoate;pyrrolidin-2-one
PubChem CID68619788
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nameethenyl prop-2-enoate;pyrrolidin-2-one
SMILESC=COC(=O)C=C.O=C1CCCN1
InChIInChI=1S/C5H6O2.C4H7NO/c1-3-5(6)7-4-2;6-4-2-1-3-5-4/h3-4H,1-2H2;1-3H2,(H,5,6)
InChIKeyFYTNRXSQGDWQGN-UHFFFAOYSA-N
XLogP0.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

Methyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 19702429
Ethenyl acetate;pyrrolidin-2-one
CID 21940865
Ethenyl prop-2-enoate;1-ethenylpyrrolidin-2-one
CID 21954209
Ethyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 22435834
Ethenyl but-3-enoate;pyrrolidin-2-one
CID 67279694
Ethyl prop-2-enoate;pyrrolidin-2-one
CID 67427827
Prop-2-enyl butanoate;pyrrolidin-2-one
CID 68796095
Methyl prop-2-enoate;pyrrolidin-2-one
CID 68954032
3-(2-Oxopyrrolidin-1-yl)propyl prop-2-enoate
CID 69854290
Furan-2,5-dione;pyrrolidin-2-one
CID 88759483
2-Hydroxyethyl prop-2-enoate;pyrrolidin-2-one
CID 157296490
Ethenyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 174312684

Frequently Asked Questions

What is the IUPAC name of ethenyl prop-2-enoate;pyrrolidin-2-one?
The IUPAC name of ethenyl prop-2-enoate;pyrrolidin-2-one (CID 68619788) is ethenyl prop-2-enoate;pyrrolidin-2-one.
What is the SMILES notation for ethenyl prop-2-enoate;pyrrolidin-2-one?
The canonical SMILES for ethenyl prop-2-enoate;pyrrolidin-2-one is C=COC(=O)C=C.O=C1CCCN1.
What is the InChIKey of ethenyl prop-2-enoate;pyrrolidin-2-one?
The InChIKey is FYTNRXSQGDWQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2.C4H7NO/c1-3-5(6)7-4-2;6-4-2-1-3-5-4/h3-4H,1-2H2;1-3H2,(H,5,6).
What are the key properties of ethenyl prop-2-enoate;pyrrolidin-2-one?
ethenyl prop-2-enoate;pyrrolidin-2-one has a molecular weight of 183.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl prop-2-enoate;pyrrolidin-2-one is sourced from PubChem (CID 68619788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).