3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one

C14H19NO — CID 135070598

IUPAC3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one
SMILESC=CC1CC(C=C)N(CC(=C)C(=C)C)C1=O
InChIInChI=1S/C14H19NO/c1-6-12-8-13(7-2)15(14(12)16)9-11(5)10(3)4/h6-7,12-13H,1-3,5,8-9H2,4H3
InChIKeyGPLHZDMCQVUBDU-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.71
Rot. Bonds5

About 3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one

3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one (PubChem CID 135070598) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one
PubChem CID135070598
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one
SMILESC=CC1CC(C=C)N(CC(=C)C(=C)C)C1=O
InChIInChI=1S/C14H19NO/c1-6-12-8-13(7-2)15(14(12)16)9-11(5)10(3)4/h6-7,12-13H,1-3,5,8-9H2,4H3
InChIKeyGPLHZDMCQVUBDU-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one
CID 102353970
(3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one
CID 102474509
tert-butyl (3S,5R)-3,5-bis(ethenyl)-2-oxopyrrolidine-1-carboxylate
CID 101410913
(3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one
CID 102474513
4-ethenyl-1-ethylazetidin-2-one
CID 150972777
1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one
CID 121221572
1-acetyl-5-ethenylpyrrolidin-2-one
CID 19861403
1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 102330307
4-ethenyl-3-hydroxy-1,3-oxazolidin-2-one
CID 134839324
2-(dimethylamino)ethyl 2-[(3-ethenyl-2-oxopyrrolidin-1-yl)methyl]prop-2-enoate;dimethyl sulfate
CID 174577966
3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrate
CID 175014118
(2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one
CID 102349825

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one?
The IUPAC name of 3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one (CID 135070598) is 3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one.
What is the SMILES notation for 3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one?
The canonical SMILES for 3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one is C=CC1CC(C=C)N(CC(=C)C(=C)C)C1=O.
What is the InChIKey of 3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one?
The InChIKey is GPLHZDMCQVUBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-6-12-8-13(7-2)15(14(12)16)9-11(5)10(3)4/h6-7,12-13H,1-3,5,8-9H2,4H3.
What are the key properties of 3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one?
3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.71, 5 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-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one is sourced from PubChem (CID 135070598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).