(4-bromophenyl)-pyrrolidin-1-ylmethanone

C11H12BrNO — CID 819718

IUPAC(4-bromophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C11H12BrNO/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2
InChIKeyHVTDUODOHGNXMJ-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.69
Rot. Bonds1

About (4-bromophenyl)-pyrrolidin-1-ylmethanone

(4-bromophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 819718) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is (4-bromophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromophenyl)-pyrrolidin-1-ylmethanone
PubChem CID819718
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name(4-bromophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C11H12BrNO/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2
InChIKeyHVTDUODOHGNXMJ-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-bromophenyl)-pyrrolidin-1-ylmethanone (CID 819718) is (4-bromophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-bromophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-bromophenyl)-pyrrolidin-1-ylmethanone is O=C(c1ccc(Br)cc1)N1CCCC1.
What is the InChIKey of (4-bromophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is HVTDUODOHGNXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2.
What are the key properties of (4-bromophenyl)-pyrrolidin-1-ylmethanone?
(4-bromophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 254.13 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 819718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).