2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one

C14H15NO2 — CID 57094994

IUPAC2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one
SMILESCn1cccc1CC(O)C(=O)c1ccccc1
InChIInChI=1S/C14H15NO2/c1-15-9-5-8-12(15)10-13(16)14(17)11-6-3-2-4-7-11/h2-9,13,16H,10H2,1H3
InChIKeyMJBHWEPFMRZIAE-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.81
Rot. Bonds4

About 2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one

2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one (PubChem CID 57094994) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one
PubChem CID57094994
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one
SMILESCn1cccc1CC(O)C(=O)c1ccccc1
InChIInChI=1S/C14H15NO2/c1-15-9-5-8-12(15)10-13(16)14(17)11-6-3-2-4-7-11/h2-9,13,16H,10H2,1H3
InChIKeyMJBHWEPFMRZIAE-UHFFFAOYSA-N
XLogP1.81
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-hydroxy-1,5-diphenylpentane-1,5-dione
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2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide
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(2R)-2-hydroxy-1-phenylhexane-1,5-dione
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2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide
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4-amino-2-hydroxy-1-phenylbutan-1-one
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2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid
CID 160588894
2-hydroxy-1-phenyltetradecan-1-one
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(2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide
CID 114186160
2-methyl-3-[(1-methylpyrrol-2-yl)methylamino]-3-oxopropanoic acid
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CID 11142985

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one?
The IUPAC name of 2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one (CID 57094994) is 2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one?
The canonical SMILES for 2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one is Cn1cccc1CC(O)C(=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one?
The InChIKey is MJBHWEPFMRZIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-15-9-5-8-12(15)10-13(16)14(17)11-6-3-2-4-7-11/h2-9,13,16H,10H2,1H3.
What are the key properties of 2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one?
2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one has a molecular weight of 229.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(1-methylpyrrol-2-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 57094994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).