(4-bromophenyl)-pyrrol-1-ylmethanone

C11H8BrNO — CID 10634392

IUPAC(4-bromophenyl)-pyrrol-1-ylmethanone
SMILESO=C(c1ccc(Br)cc1)n1cccc1
InChIInChI=1S/C11H8BrNO/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h1-8H
InChIKeyBHISUPNGWNTSRL-UHFFFAOYSA-N
MW250.10 g/mol
LogP2.94
Rot. Bonds1

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

(4-bromophenyl)-pyrrol-1-ylmethanone (PubChem CID 10634392) has the molecular formula C11H8BrNO and a molecular weight of 250.10 g/mol. Its IUPAC name is (4-bromophenyl)-pyrrol-1-ylmethanone.

Molecular Properties

Compound Name(4-bromophenyl)-pyrrol-1-ylmethanone
PubChem CID10634392
Molecular FormulaC11H8BrNO
Molecular Weight250.10 g/mol
Exact Mass248.98
IUPAC Name(4-bromophenyl)-pyrrol-1-ylmethanone
SMILESO=C(c1ccc(Br)cc1)n1cccc1
InChIInChI=1S/C11H8BrNO/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h1-8H
InChIKeyBHISUPNGWNTSRL-UHFFFAOYSA-N
XLogP2.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-pyrrol-1-ylmethanone?
The IUPAC name of (4-bromophenyl)-pyrrol-1-ylmethanone (CID 10634392) is (4-bromophenyl)-pyrrol-1-ylmethanone.
What is the SMILES notation for (4-bromophenyl)-pyrrol-1-ylmethanone?
The canonical SMILES for (4-bromophenyl)-pyrrol-1-ylmethanone is O=C(c1ccc(Br)cc1)n1cccc1.
What is the InChIKey of (4-bromophenyl)-pyrrol-1-ylmethanone?
The InChIKey is BHISUPNGWNTSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h1-8H.
What are the key properties of (4-bromophenyl)-pyrrol-1-ylmethanone?
(4-bromophenyl)-pyrrol-1-ylmethanone has a molecular weight of 250.10 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-pyrrol-1-ylmethanone is sourced from PubChem (CID 10634392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).