1-(4-phenyl-1H-pyrrol-3-yl)ethanone

C12H11NO — CID 1203648

IUPAC1-(4-phenyl-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1c[nH]cc1-c1ccccc1
InChIInChI=1S/C12H11NO/c1-9(14)11-7-13-8-12(11)10-5-3-2-4-6-10/h2-8,13H,1H3
InChIKeyHTTOZWJDRBYWHH-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.88
Rot. Bonds2

About 1-(4-phenyl-1H-pyrrol-3-yl)ethanone

1-(4-phenyl-1H-pyrrol-3-yl)ethanone (PubChem CID 1203648) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(4-phenyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-phenyl-1H-pyrrol-3-yl)ethanone
PubChem CID1203648
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1-(4-phenyl-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1c[nH]cc1-c1ccccc1
InChIInChI=1S/C12H11NO/c1-9(14)11-7-13-8-12(11)10-5-3-2-4-6-10/h2-8,13H,1H3
InChIKeyHTTOZWJDRBYWHH-UHFFFAOYSA-N
XLogP2.88
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(4-phenyl-1H-pyrrol-3-yl)ethanone (CID 1203648) is 1-(4-phenyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(4-phenyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(4-phenyl-1H-pyrrol-3-yl)ethanone is CC(=O)c1c[nH]cc1-c1ccccc1.
What is the InChIKey of 1-(4-phenyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is HTTOZWJDRBYWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-9(14)11-7-13-8-12(11)10-5-3-2-4-6-10/h2-8,13H,1H3.
What are the key properties of 1-(4-phenyl-1H-pyrrol-3-yl)ethanone?
1-(4-phenyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 185.23 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 1203648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).