4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one

C11H13N3O — CID 168685494

IUPAC4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(Cc2cncnc2)C1
InChIInChI=1S/C11H13N3O/c1-2-9-3-11(15)14(6-9)7-10-4-12-8-13-5-10/h2,4-5,8-9H,1,3,6-7H2
InChIKeyIWSIFGZBBFFOGI-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.01
Rot. Bonds3

About 4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one

4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one (PubChem CID 168685494) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
PubChem CID168685494
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(Cc2cncnc2)C1
InChIInChI=1S/C11H13N3O/c1-2-9-3-11(15)14(6-9)7-10-4-12-8-13-5-10/h2,4-5,8-9H,1,3,6-7H2
InChIKeyIWSIFGZBBFFOGI-UHFFFAOYSA-N
XLogP1.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168508497
4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168700328
[5-oxo-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673835
4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one
CID 168685460
4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one
CID 168685510
4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one
CID 168684919
4-ethenyl-1-(quinoxalin-2-ylmethyl)pyrrolidin-2-one
CID 168685508
4-ethenyl-1-(isoquinolin-3-ylmethyl)pyrrolidin-2-one
CID 168685452
4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one
CID 168685036
4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
CID 168685338
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168685234

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one (CID 168685494) is 4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one is C=CC1CC(=O)N(Cc2cncnc2)C1.
What is the InChIKey of 4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one?
The InChIKey is IWSIFGZBBFFOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-9-3-11(15)14(6-9)7-10-4-12-8-13-5-10/h2,4-5,8-9H,1,3,6-7H2.
What are the key properties of 4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one?
4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168685494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).