ethenyl propanoate;pyrrolidin-2-one

C9H15NO3 — CID 174943137

IUPACethenyl propanoate;pyrrolidin-2-one
SMILESC=COC(=O)CC.O=C1CCCN1
InChIInChI=1S/C5H8O2.C4H7NO/c1-3-5(6)7-4-2;6-4-2-1-3-5-4/h4H,2-3H2,1H3;1-3H2,(H,5,6)
InChIKeyGQVXBYCRBKFWNM-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.98
Rot. Bonds2

About ethenyl propanoate;pyrrolidin-2-one

ethenyl propanoate;pyrrolidin-2-one (PubChem CID 174943137) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethenyl propanoate;pyrrolidin-2-one.

Molecular Properties

Compound Nameethenyl propanoate;pyrrolidin-2-one
PubChem CID174943137
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethenyl propanoate;pyrrolidin-2-one
SMILESC=COC(=O)CC.O=C1CCCN1
InChIInChI=1S/C5H8O2.C4H7NO/c1-3-5(6)7-4-2;6-4-2-1-3-5-4/h4H,2-3H2,1H3;1-3H2,(H,5,6)
InChIKeyGQVXBYCRBKFWNM-UHFFFAOYSA-N
XLogP0.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl propanoate;pyrrolidin-2-one?
The IUPAC name of ethenyl propanoate;pyrrolidin-2-one (CID 174943137) is ethenyl propanoate;pyrrolidin-2-one.
What is the SMILES notation for ethenyl propanoate;pyrrolidin-2-one?
The canonical SMILES for ethenyl propanoate;pyrrolidin-2-one is C=COC(=O)CC.O=C1CCCN1.
What is the InChIKey of ethenyl propanoate;pyrrolidin-2-one?
The InChIKey is GQVXBYCRBKFWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H7NO/c1-3-5(6)7-4-2;6-4-2-1-3-5-4/h4H,2-3H2,1H3;1-3H2,(H,5,6).
What are the key properties of ethenyl propanoate;pyrrolidin-2-one?
ethenyl propanoate;pyrrolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl propanoate;pyrrolidin-2-one is sourced from PubChem (CID 174943137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).