1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one

C13H12ClNO — CID 57225586

IUPAC1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)c1ccc[nH]1
InChIInChI=1S/C13H12ClNO/c1-9(12-3-2-8-15-12)13(16)10-4-6-11(14)7-5-10/h2-9,15H,1H3
InChIKeyRYJDBZHFTYFKRO-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.65
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one

1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one (PubChem CID 57225586) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one
PubChem CID57225586
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)c1ccc[nH]1
InChIInChI=1S/C13H12ClNO/c1-9(12-3-2-8-15-12)13(16)10-4-6-11(14)7-5-10/h2-9,15H,1H3
InChIKeyRYJDBZHFTYFKRO-UHFFFAOYSA-N
XLogP3.65
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 102075278
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(3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one
CID 102531738
1-(4-chlorophenyl)-2-methylbutane-1,3-dione
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3-(4-chlorophenyl)-2-methyl-3-oxopropanal
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1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one
CID 58872857
3,4-bis(4-chlorobenzoyl)hexane-2,5-dione
CID 46243237
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62052939
[(2R)-1-(4-chlorophenyl)-1-oxobutan-2-yl]azanium
CID 7393173
(2S)-1-(4-chlorophenyl)-2-methylbut-3-en-1-one
CID 145155044
4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
CID 116594848
1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride
CID 131851401

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one (CID 57225586) is 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one is CC(C(=O)c1ccc(Cl)cc1)c1ccc[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one?
The InChIKey is RYJDBZHFTYFKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9(12-3-2-8-15-12)13(16)10-4-6-11(14)7-5-10/h2-9,15H,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one?
1-(4-chlorophenyl)-2-(1H-pyrrol-2-yl)propan-1-one has a molecular weight of 233.70 g/mol, XLogP of 3.65, 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)propan-1-one is sourced from PubChem (CID 57225586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).