1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone

C14H15NO — CID 821591

IUPAC1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1c(C)[nH]c(C)c1-c1ccccc1
InChIInChI=1S/C14H15NO/c1-9-13(11(3)16)14(10(2)15-9)12-7-5-4-6-8-12/h4-8,15H,1-3H3
InChIKeyVKZMQVSPZVPLDX-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.50
Rot. Bonds2

About 1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone

1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone (PubChem CID 821591) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone
PubChem CID821591
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1c(C)[nH]c(C)c1-c1ccccc1
InChIInChI=1S/C14H15NO/c1-9-13(11(3)16)14(10(2)15-9)12-7-5-4-6-8-12/h4-8,15H,1-3H3
InChIKeyVKZMQVSPZVPLDX-UHFFFAOYSA-N
XLogP3.50
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Chloro-1-(2-methyl-1H-indol-3-yl)ethanone
CID 723221
3-Formyl-2-methylindole
CID 73166
1-(2-Phenyl-1H-indol-3-yl)ethanone
CID 613364
Murrayaquinone A
CID 127481
3-Acetyl-2,4,5-trimethylpyrrole
CID 29375
1-(2-methyl-1H-indol-3-yl)ethan-1-one
CID 285754
2,5-Diphenyl-1H-pyrrole-3-carbaldehyde
CID 619021
1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one
CID 653478
Carbazoquinocin C
CID 10335508
Isoprazone
CID 71737
Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)-
CID 56251
5-Phenyl-1H-pyrrole-2-carbaldehyde
CID 598782

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone (CID 821591) is 1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone is CC(=O)c1c(C)[nH]c(C)c1-c1ccccc1.
What is the InChIKey of 1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is VKZMQVSPZVPLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-9-13(11(3)16)14(10(2)15-9)12-7-5-4-6-8-12/h4-8,15H,1-3H3.
What are the key properties of 1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone?
1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 213.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 821591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).