3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one

C11H13NO — CID 135081039

IUPAC3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one
SMILESC#CCN1C(=O)C(C=C)CC1C=C
InChIInChI=1S/C11H13NO/c1-4-7-12-10(6-3)8-9(5-2)11(12)13/h1,5-6,9-10H,2-3,7-8H2
InChIKeyMGEONPGTRSMNJS-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.21
Rot. Bonds3

About 3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one

3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one (PubChem CID 135081039) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one.

Molecular Properties

Compound Name3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one
PubChem CID135081039
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one
SMILESC#CCN1C(=O)C(C=C)CC1C=C
InChIInChI=1S/C11H13NO/c1-4-7-12-10(6-3)8-9(5-2)11(12)13/h1,5-6,9-10H,2-3,7-8H2
InChIKeyMGEONPGTRSMNJS-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-Butyl-3-azabicyclo[2.2.1]hept-5-en-2-one
CID 129905141
(5S)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one
CID 10725992
(5S)-1-pent-4-enyl-5-prop-1-ynylpyrrolidin-2-one
CID 10750240
1-But-3-enyl-5-ethenylpyrrolidin-2-one
CID 14942501
(3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one
CID 55299708
2-Prop-2-ynyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 75089149
2-But-2-ynyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 85945183
1-But-2-ynyl-3,5-bis(ethenyl)pyrrolidin-2-one
CID 85945184
3,5-Bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one
CID 85945189
5-Ethenyl-1-hex-5-enylpyrrolidin-2-one
CID 121012339
5-Ethenyl-1-pent-4-enylpyrrolidin-2-one
CID 121220896
(5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one
CID 134872444

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one?
The IUPAC name of 3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one (CID 135081039) is 3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one.
What is the SMILES notation for 3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one?
The canonical SMILES for 3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one is C#CCN1C(=O)C(C=C)CC1C=C.
What is the InChIKey of 3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one?
The InChIKey is MGEONPGTRSMNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-4-7-12-10(6-3)8-9(5-2)11(12)13/h1,5-6,9-10H,2-3,7-8H2.
What are the key properties of 3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one?
3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one is sourced from PubChem (CID 135081039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).