1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone

C13H13NO2 — CID 11264383

IUPAC1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1cc(Cc2ccccc2)[nH]c1O
InChIInChI=1S/C13H13NO2/c1-9(15)12-8-11(14-13(12)16)7-10-5-3-2-4-6-10/h2-6,8,14,16H,7H2,1H3
InChIKeyRCTVERFTPYROEQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.51
Rot. Bonds3

About 1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone

1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone (PubChem CID 11264383) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone
PubChem CID11264383
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1cc(Cc2ccccc2)[nH]c1O
InChIInChI=1S/C13H13NO2/c1-9(15)12-8-11(14-13(12)16)7-10-5-3-2-4-6-10/h2-6,8,14,16H,7H2,1H3
InChIKeyRCTVERFTPYROEQ-UHFFFAOYSA-N
XLogP2.51
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-benzyl-1H-pyrrol-2-yl)ethanone
CID 156581411
3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one
CID 10641246
1-(2,4-dibenzylphenyl)ethanone
CID 70182248
butane-2,3-dione;ethylbenzene
CID 174875574
1-(5-benzyl-2-methoxyphenyl)ethanone
CID 10681517
acetic acid;ethane;ethylbenzene;methane
CID 159768897
1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone
CID 101376754
1-(3-benzyl-2,4-dimethoxyphenyl)ethanone
CID 14523506
1-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]ethanone
CID 70901994
1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
CID 70039438
5-benzyl-2,3,4-trihydroxybenzoic acid
CID 175212254
1-(4-benzylpyridin-1-ium-1-yl)ethanone
CID 5325149

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone (CID 11264383) is 1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone is CC(=O)c1cc(Cc2ccccc2)[nH]c1O.
What is the InChIKey of 1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone?
The InChIKey is RCTVERFTPYROEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9(15)12-8-11(14-13(12)16)7-10-5-3-2-4-6-10/h2-6,8,14,16H,7H2,1H3.
What are the key properties of 1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone?
1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone has a molecular weight of 215.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 11264383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).