6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one

C10H11N3O2 — CID 168686542

IUPAC6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one
SMILESC=CC1CC(=O)N(c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C10H11N3O2/c1-2-7-5-9(14)13(6-7)8-3-4-11-10(15)12-8/h2-4,7H,1,5-6H2,(H,11,12,15)
InChIKeyWDYSVKYLPNWZAS-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.31
Rot. Bonds2

About 6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one

6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one (PubChem CID 168686542) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one
PubChem CID168686542
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one
SMILESC=CC1CC(=O)N(c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C10H11N3O2/c1-2-7-5-9(14)13(6-7)8-3-4-11-10(15)12-8/h2-4,7H,1,5-6H2,(H,11,12,15)
InChIKeyWDYSVKYLPNWZAS-UHFFFAOYSA-N
XLogP0.31
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
1-(2,4-dimethyl-3-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684838
1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one
CID 168686679
1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one
CID 168685445
1-(5-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685937
1-(2-bromo-4-methyl-3-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684837
4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 168686329
1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686184
6-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-1,3,5-triazin-2-one
CID 168686629
4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one
CID 168685936
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874
[6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid
CID 168686660

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one (CID 168686542) is 6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one is C=CC1CC(=O)N(c2ccnc(=O)[nH]2)C1.
What is the InChIKey of 6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one?
The InChIKey is WDYSVKYLPNWZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-7-5-9(14)13(6-7)8-3-4-11-10(15)12-8/h2-4,7H,1,5-6H2,(H,11,12,15).
What are the key properties of 6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one?
6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one has a molecular weight of 205.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 168686542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).