1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one

C10H10BrN3O — CID 168686679

IUPAC1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nccc(Br)n2)C1
InChIInChI=1S/C10H10BrN3O/c1-2-7-5-9(15)14(6-7)10-12-4-3-8(11)13-10/h2-4,7H,1,5-6H2
InChIKeyDZNRVRCIATZSLV-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.78
Rot. Bonds2

About 1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one

1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one (PubChem CID 168686679) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one
PubChem CID168686679
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nccc(Br)n2)C1
InChIInChI=1S/C10H10BrN3O/c1-2-7-5-9(15)14(6-7)10-12-4-3-8(11)13-10/h2-4,7H,1,5-6H2
InChIKeyDZNRVRCIATZSLV-UHFFFAOYSA-N
XLogP1.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.78
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-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
1-(2-bromo-4-methyl-3-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684837
1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]-4-ethenylpyrrolidin-2-one
CID 168686153
1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686184
S-[1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707438
1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686161
6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one
CID 168686542
1-(5-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685937
1-(3,5-dibromo-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685536
1-(2,4-dimethyl-3-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684838
6-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-1,3,5-triazin-2-one
CID 168686629
4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 168686329

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one (CID 168686679) is 1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2nccc(Br)n2)C1.
What is the InChIKey of 1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one?
The InChIKey is DZNRVRCIATZSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-2-7-5-9(15)14(6-7)10-12-4-3-8(11)13-10/h2-4,7H,1,5-6H2.
What are the key properties of 1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one?
1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one has a molecular weight of 268.11 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168686679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).