1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone

C12H12N2O — CID 15269203

IUPAC1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)[nH]c1N
InChIInChI=1S/C12H12N2O/c1-8(15)10-7-11(14-12(10)13)9-5-3-2-4-6-9/h2-7,14H,13H2,1H3
InChIKeyUHOMCMHGBZPCDI-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.47
Rot. Bonds2

About 1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone

1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone (PubChem CID 15269203) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone
PubChem CID15269203
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)[nH]c1N
InChIInChI=1S/C12H12N2O/c1-8(15)10-7-11(14-12(10)13)9-5-3-2-4-6-9/h2-7,14H,13H2,1H3
InChIKeyUHOMCMHGBZPCDI-UHFFFAOYSA-N
XLogP2.47
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone (CID 15269203) is 1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone is CC(=O)c1cc(-c2ccccc2)[nH]c1N.
What is the InChIKey of 1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is UHOMCMHGBZPCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8(15)10-7-11(14-12(10)13)9-5-3-2-4-6-9/h2-7,14H,13H2,1H3.
What are the key properties of 1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone?
1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 200.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 15269203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).