ethene;ethenyl acetate;pyrrolidin-2-one

C10H17NO3 — CID 162186699

IUPACethene;ethenyl acetate;pyrrolidin-2-one
SMILESC=C.C=COC(C)=O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H6O2.C2H4/c6-4-2-1-3-5-4;1-3-6-4(2)5;1-2/h1-3H2,(H,5,6);3H,1H2,2H3;1-2H2
InChIKeyZPTAEPZWLGMIGE-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.39
Rot. Bonds1

About ethene;ethenyl acetate;pyrrolidin-2-one

ethene;ethenyl acetate;pyrrolidin-2-one (PubChem CID 162186699) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethene;ethenyl acetate;pyrrolidin-2-one.

Molecular Properties

Compound Nameethene;ethenyl acetate;pyrrolidin-2-one
PubChem CID162186699
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethene;ethenyl acetate;pyrrolidin-2-one
SMILESC=C.C=COC(C)=O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H6O2.C2H4/c6-4-2-1-3-5-4;1-3-6-4(2)5;1-2/h1-3H2,(H,5,6);3H,1H2,2H3;1-2H2
InChIKeyZPTAEPZWLGMIGE-UHFFFAOYSA-N
XLogP1.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of ethene;ethenyl acetate;pyrrolidin-2-one?
The IUPAC name of ethene;ethenyl acetate;pyrrolidin-2-one (CID 162186699) is ethene;ethenyl acetate;pyrrolidin-2-one.
What is the SMILES notation for ethene;ethenyl acetate;pyrrolidin-2-one?
The canonical SMILES for ethene;ethenyl acetate;pyrrolidin-2-one is C=C.C=COC(C)=O.O=C1CCCN1.
What is the InChIKey of ethene;ethenyl acetate;pyrrolidin-2-one?
The InChIKey is ZPTAEPZWLGMIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H6O2.C2H4/c6-4-2-1-3-5-4;1-3-6-4(2)5;1-2/h1-3H2,(H,5,6);3H,1H2,2H3;1-2H2.
What are the key properties of ethene;ethenyl acetate;pyrrolidin-2-one?
ethene;ethenyl acetate;pyrrolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethenyl acetate;pyrrolidin-2-one is sourced from PubChem (CID 162186699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).