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

C13H17NO — CID 85945189

IUPAC3,5-bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one
SMILESC=CC1CC(N(C1=O)CC(=C)C=C)C=C
InChIInChI=1S/C13H17NO/c1-5-10(4)9-14-12(7-3)8-11(6-2)13(14)15/h5-7,11-12H,1-4,8-9H2
InChIKeyHDEKWEGAPHWHSF-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.00
Rot. Bonds5

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

3,5-Bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one (PubChem CID 85945189) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3,5-bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3,5-Bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one
PubChem CID85945189
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3,5-bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one
SMILESC=CC1CC(N(C1=O)CC(=C)C=C)C=C
InChIInChI=1S/C13H17NO/c1-5-10(4)9-14-12(7-3)8-11(6-2)13(14)15/h5-7,11-12H,1-4,8-9H2
InChIKeyHDEKWEGAPHWHSF-UHFFFAOYSA-N
XLogP3.00
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity316

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.00
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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Frequently Asked Questions

What is the IUPAC name of 3,5-Bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one?
The IUPAC name of 3,5-Bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one (CID 85945189) is 3,5-bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one.
What is the SMILES notation for 3,5-Bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one?
The canonical SMILES for 3,5-Bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one is C=CC1CC(N(C1=O)CC(=C)C=C)C=C.
What is the InChIKey of 3,5-Bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one?
The InChIKey is HDEKWEGAPHWHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-5-10(4)9-14-12(7-3)8-11(6-2)13(14)15/h5-7,11-12H,1-4,8-9H2.
What are the key properties of 3,5-Bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one?
3,5-Bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one has a molecular weight of 203.28 g/mol, XLogP of 3.00, 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-(2-methylidenebut-3-enyl)pyrrolidin-2-one is sourced from PubChem (CID 85945189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).