1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one

C12H19NO2 — CID 164683678

IUPAC1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one
SMILESCCC/C=C/CO/C=C/N1CCCC1=O
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-10-15-11-9-13-8-6-7-12(13)14/h4-5,9,11H,2-3,6-8,10H2,1H3/b5-4+,11-9+
InChIKeyPWYLQPUCVQVIPX-RQYWULHYSA-N
MW209.29 g/mol
LogP2.45
Rot. Bonds6

About 1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one

1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one (PubChem CID 164683678) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one
PubChem CID164683678
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one
SMILESCCC/C=C/CO/C=C/N1CCCC1=O
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-10-15-11-9-13-8-6-7-12(13)14/h4-5,9,11H,2-3,6-8,10H2,1H3/b5-4+,11-9+
InChIKeyPWYLQPUCVQVIPX-RQYWULHYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one?
The IUPAC name of 1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one (CID 164683678) is 1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one is CCC/C=C/CO/C=C/N1CCCC1=O.
What is the InChIKey of 1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one?
The InChIKey is PWYLQPUCVQVIPX-RQYWULHYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-4-5-10-15-11-9-13-8-6-7-12(13)14/h4-5,9,11H,2-3,6-8,10H2,1H3/b5-4+,11-9+.
What are the key properties of 1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one?
1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[(E)-hex-2-enoxy]ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 164683678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).