4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one

C11H10BrNO — CID 24905923

IUPAC4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one
SMILESC=C1C(=O)NCC1c1ccc(Br)cc1
InChIInChI=1S/C11H10BrNO/c1-7-10(6-13-11(7)14)8-2-4-9(12)5-3-8/h2-5,10H,1,6H2,(H,13,14)
InChIKeyDODGCXWSFHWKOI-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.22
Rot. Bonds1

About 4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one

4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one (PubChem CID 24905923) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one
PubChem CID24905923
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one
SMILESC=C1C(=O)NCC1c1ccc(Br)cc1
InChIInChI=1S/C11H10BrNO/c1-7-10(6-13-11(7)14)8-2-4-9(12)5-3-8/h2-5,10H,1,6H2,(H,13,14)
InChIKeyDODGCXWSFHWKOI-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one?
The IUPAC name of 4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one (CID 24905923) is 4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one?
The canonical SMILES for 4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one is C=C1C(=O)NCC1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one?
The InChIKey is DODGCXWSFHWKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-7-10(6-13-11(7)14)8-2-4-9(12)5-3-8/h2-5,10H,1,6H2,(H,13,14).
What are the key properties of 4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one?
4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one has a molecular weight of 252.11 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one is sourced from PubChem (CID 24905923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).