1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone

C12H10ClNO — CID 57131437

IUPAC1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone
SMILESO=C(Cc1ccc[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO/c13-10-5-3-9(4-6-10)12(15)8-11-2-1-7-14-11/h1-7,14H,8H2
InChIKeyDJMKKVYNAILWPL-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.09
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone

1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone (PubChem CID 57131437) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone
PubChem CID57131437
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone
SMILESO=C(Cc1ccc[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO/c13-10-5-3-9(4-6-10)12(15)8-11-2-1-7-14-11/h1-7,14H,8H2
InChIKeyDJMKKVYNAILWPL-UHFFFAOYSA-N
XLogP3.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone (CID 57131437) is 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone is O=C(Cc1ccc[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone?
The InChIKey is DJMKKVYNAILWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-10-5-3-9(4-6-10)12(15)8-11-2-1-7-14-11/h1-7,14H,8H2.
What are the key properties of 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone?
1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone has a molecular weight of 219.67 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 57131437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).