1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one

C11H11BrN2O — CID 168686184

IUPAC1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ncccc2Br)C1
InChIInChI=1S/C11H11BrN2O/c1-2-8-6-10(15)14(7-8)11-9(12)4-3-5-13-11/h2-5,8H,1,6-7H2
InChIKeyHNEIDRRMPVMOSW-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.38
Rot. Bonds2

About 1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one

1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168686184) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
PubChem CID168686184
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ncccc2Br)C1
InChIInChI=1S/C11H11BrN2O/c1-2-8-6-10(15)14(7-8)11-9(12)4-3-5-13-11/h2-5,8H,1,6-7H2
InChIKeyHNEIDRRMPVMOSW-UHFFFAOYSA-N
XLogP2.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one (CID 168686184) is 1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2ncccc2Br)C1.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is HNEIDRRMPVMOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-2-8-6-10(15)14(7-8)11-9(12)4-3-5-13-11/h2-5,8H,1,6-7H2.
What are the key properties of 1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 267.13 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168686184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).