1-(2-phenylpyrrol-2-yl)propan-1-one

C13H13NO — CID 123397913

IUPAC1-(2-phenylpyrrol-2-yl)propan-1-one
SMILESCCC(=O)C1(c2ccccc2)C=CC=N1
InChIInChI=1S/C13H13NO/c1-2-12(15)13(9-6-10-14-13)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyRSQBAXSTAKRJIT-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.50
Rot. Bonds3

About 1-(2-phenylpyrrol-2-yl)propan-1-one

1-(2-phenylpyrrol-2-yl)propan-1-one (PubChem CID 123397913) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(2-phenylpyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-phenylpyrrol-2-yl)propan-1-one
PubChem CID123397913
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1-(2-phenylpyrrol-2-yl)propan-1-one
SMILESCCC(=O)C1(c2ccccc2)C=CC=N1
InChIInChI=1S/C13H13NO/c1-2-12(15)13(9-6-10-14-13)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyRSQBAXSTAKRJIT-UHFFFAOYSA-N
XLogP2.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpyrrol-2-yl)propan-1-one?
The IUPAC name of 1-(2-phenylpyrrol-2-yl)propan-1-one (CID 123397913) is 1-(2-phenylpyrrol-2-yl)propan-1-one.
What is the SMILES notation for 1-(2-phenylpyrrol-2-yl)propan-1-one?
The canonical SMILES for 1-(2-phenylpyrrol-2-yl)propan-1-one is CCC(=O)C1(c2ccccc2)C=CC=N1.
What is the InChIKey of 1-(2-phenylpyrrol-2-yl)propan-1-one?
The InChIKey is RSQBAXSTAKRJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-12(15)13(9-6-10-14-13)11-7-4-3-5-8-11/h3-10H,2H2,1H3.
What are the key properties of 1-(2-phenylpyrrol-2-yl)propan-1-one?
1-(2-phenylpyrrol-2-yl)propan-1-one has a molecular weight of 199.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpyrrol-2-yl)propan-1-one is sourced from PubChem (CID 123397913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).