1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone

C12H10BrNO — CID 11129157

IUPAC1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1-c1ccc(Br)cc1
InChIInChI=1S/C12H10BrNO/c1-9(15)12-3-2-8-14(12)11-6-4-10(13)5-7-11/h2-8H,1H3
InChIKeyPGMZEMNWMWYTDP-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.44
Rot. Bonds2

About 1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone

1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone (PubChem CID 11129157) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone
PubChem CID11129157
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1-c1ccc(Br)cc1
InChIInChI=1S/C12H10BrNO/c1-9(15)12-3-2-8-14(12)11-6-4-10(13)5-7-11/h2-8H,1H3
InChIKeyPGMZEMNWMWYTDP-UHFFFAOYSA-N
XLogP3.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone?
The IUPAC name of 1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone (CID 11129157) is 1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone is CC(=O)c1cccn1-c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone?
The InChIKey is PGMZEMNWMWYTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c1-9(15)12-3-2-8-14(12)11-6-4-10(13)5-7-11/h2-8H,1H3.
What are the key properties of 1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone?
1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone has a molecular weight of 264.12 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone is sourced from PubChem (CID 11129157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).