(4-bromophenyl) 2-oxopyrrolidine-1-carboxylate

C11H10BrNO3 — CID 19751527

IUPAC(4-bromophenyl) 2-oxopyrrolidine-1-carboxylate
SMILESO=C1CCCN1C(=O)Oc1ccc(Br)cc1
InChIInChI=1S/C11H10BrNO3/c12-8-3-5-9(6-4-8)16-11(15)13-7-1-2-10(13)14/h3-6H,1-2,7H2
InChIKeyKYYLYFAOEAAMSQ-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.57
Rot. Bonds1

About (4-bromophenyl) 2-oxopyrrolidine-1-carboxylate

(4-bromophenyl) 2-oxopyrrolidine-1-carboxylate (PubChem CID 19751527) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is (4-bromophenyl) 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(4-bromophenyl) 2-oxopyrrolidine-1-carboxylate
PubChem CID19751527
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name(4-bromophenyl) 2-oxopyrrolidine-1-carboxylate
SMILESO=C1CCCN1C(=O)Oc1ccc(Br)cc1
InChIInChI=1S/C11H10BrNO3/c12-8-3-5-9(6-4-8)16-11(15)13-7-1-2-10(13)14/h3-6H,1-2,7H2
InChIKeyKYYLYFAOEAAMSQ-UHFFFAOYSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of (4-bromophenyl) 2-oxopyrrolidine-1-carboxylate (CID 19751527) is (4-bromophenyl) 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for (4-bromophenyl) 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for (4-bromophenyl) 2-oxopyrrolidine-1-carboxylate is O=C1CCCN1C(=O)Oc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl) 2-oxopyrrolidine-1-carboxylate?
The InChIKey is KYYLYFAOEAAMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c12-8-3-5-9(6-4-8)16-11(15)13-7-1-2-10(13)14/h3-6H,1-2,7H2.
What are the key properties of (4-bromophenyl) 2-oxopyrrolidine-1-carboxylate?
(4-bromophenyl) 2-oxopyrrolidine-1-carboxylate has a molecular weight of 284.11 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 19751527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).