1,5,5-Tris(prop-2-enyl)pyrrolidin-2-one

C13H19NO — CID 101720946

IUPAC1,5,5-tris(prop-2-enyl)pyrrolidin-2-one
SMILESC=CCC1(CCC(=O)N1CC=C)CC=C
InChIInChI=1S/C13H19NO/c1-4-8-13(9-5-2)10-7-12(15)14(13)11-6-3/h4-6H,1-3,7-11H2
InChIKeyJMMWVHZTIBCAAO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.50
Rot. Bonds6

About 1,5,5-Tris(prop-2-enyl)pyrrolidin-2-one

1,5,5-Tris(prop-2-enyl)pyrrolidin-2-one (PubChem CID 101720946) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1,5,5-tris(prop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,5,5-Tris(prop-2-enyl)pyrrolidin-2-one
PubChem CID101720946
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1,5,5-tris(prop-2-enyl)pyrrolidin-2-one
SMILESC=CCC1(CCC(=O)N1CC=C)CC=C
InChIInChI=1S/C13H19NO/c1-4-8-13(9-5-2)10-7-12(15)14(13)11-6-3/h4-6H,1-3,7-11H2
InChIKeyJMMWVHZTIBCAAO-UHFFFAOYSA-N
XLogP2.50
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity270

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5-Bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidin-2-one
CID 58193780
8a-Prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one
CID 121450182
8-methyl-2,7-dihydro-1H-pyrrolizin-3-one
CID 13608226
3,5-Bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one
CID 85945189
5,5-Bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one
CID 86060857
1-Pyrrolidin-1-ylhept-6-en-1-one
CID 86114369
1-But-3-enyl-5,5-bis(2-methylprop-2-enyl)pyrrolidin-2-one
CID 101720947
(8aS)-8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one
CID 101720950
(8aS)-6-methyl-8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one
CID 101720952
5-Ethenyl-1-hex-5-enylpyrrolidin-2-one
CID 121012339
5-Ethenyl-1-pent-4-enylpyrrolidin-2-one
CID 121220896
3,5-Bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one
CID 135070598

Frequently Asked Questions

What is the IUPAC name of 1,5,5-Tris(prop-2-enyl)pyrrolidin-2-one?
The IUPAC name of 1,5,5-Tris(prop-2-enyl)pyrrolidin-2-one (CID 101720946) is 1,5,5-tris(prop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for 1,5,5-Tris(prop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for 1,5,5-Tris(prop-2-enyl)pyrrolidin-2-one is C=CCC1(CCC(=O)N1CC=C)CC=C.
What is the InChIKey of 1,5,5-Tris(prop-2-enyl)pyrrolidin-2-one?
The InChIKey is JMMWVHZTIBCAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-8-13(9-5-2)10-7-12(15)14(13)11-6-3/h4-6H,1-3,7-11H2.
What are the key properties of 1,5,5-Tris(prop-2-enyl)pyrrolidin-2-one?
1,5,5-Tris(prop-2-enyl)pyrrolidin-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-Tris(prop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 101720946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).