(5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone

C11H11BrClNO — CID 977888

IUPAC(5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCCC1
InChIInChI=1S/C11H11BrClNO/c12-8-3-4-10(13)9(7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyVBZNCJRYBJPZDV-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.34
Rot. Bonds1

About (5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone

(5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 977888) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone
PubChem CID977888
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC Name(5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCCC1
InChIInChI=1S/C11H11BrClNO/c12-8-3-4-10(13)9(7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyVBZNCJRYBJPZDV-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone (CID 977888) is (5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone is O=C(c1cc(Br)ccc1Cl)N1CCCC1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is VBZNCJRYBJPZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c12-8-3-4-10(13)9(7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2.
What are the key properties of (5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone?
(5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 288.57 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 977888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).