1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone

C15H16N2O3 — CID 90890732

IUPAC1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone
SMILESCC(=O)n1c(O)c2c(c1O)CN(Cc1ccccc1)C2
InChIInChI=1S/C15H16N2O3/c1-10(18)17-14(19)12-8-16(9-13(12)15(17)20)7-11-5-3-2-4-6-11/h2-6,19-20H,7-9H2,1H3
InChIKeyZFIMGHWDXJDNLZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.08
Rot. Bonds2

About 1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone

1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone (PubChem CID 90890732) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone
PubChem CID90890732
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone
SMILESCC(=O)n1c(O)c2c(c1O)CN(Cc1ccccc1)C2
InChIInChI=1S/C15H16N2O3/c1-10(18)17-14(19)12-8-16(9-13(12)15(17)20)7-11-5-3-2-4-6-11/h2-6,19-20H,7-9H2,1H3
InChIKeyZFIMGHWDXJDNLZ-UHFFFAOYSA-N
XLogP2.08
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Benzyl-5-hexyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol
CID 91081531
3-Ethenyl-1-ethyl-4-phenylpyrrole-2,5-diol
CID 53913084
2,5-Dibenzyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol
CID 53974913
2-Benzyl-4,7-dihydroisoindole-1,3-diol
CID 54163595
5-benzyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol
CID 54177302
2-(2-Phenylethyl)-4,7-dihydroisoindole-1,3-diol
CID 54432012
2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol
CID 57167775
1-[3-(4-Benzylpiperazin-1-yl)propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrole-2,5-diol
CID 90727536
2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol
CID 90777921
2-Benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol
CID 90825798
1-[1-(4-Tert-butyl-2,5-dihydroxy-1-phenylpyrrol-3-yl)-3,3-dimethylbutyl]pyrrolidin-2-one
CID 90930885
5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol
CID 90951245

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone?
The IUPAC name of 1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone (CID 90890732) is 1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone.
What is the SMILES notation for 1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone?
The canonical SMILES for 1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone is CC(=O)n1c(O)c2c(c1O)CN(Cc1ccccc1)C2.
What is the InChIKey of 1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone?
The InChIKey is ZFIMGHWDXJDNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(18)17-14(19)12-8-16(9-13(12)15(17)20)7-11-5-3-2-4-6-11/h2-6,19-20H,7-9H2,1H3.
What are the key properties of 1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone?
1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone has a molecular weight of 272.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-4,6-dihydroxy-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl)ethanone is sourced from PubChem (CID 90890732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).