4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide

C10H16N2O3 — CID 91091349

IUPAC4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1c(O)cc(C)c1O
InChIInChI=1S/C10H16N2O3/c1-7-6-9(14)12(10(7)15)5-3-4-8(13)11-2/h6,14-15H,3-5H2,1-2H3,(H,11,13)
InChIKeyXIMXEMBBJCZHMV-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.73
Rot. Bonds4

About 4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide

4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide (PubChem CID 91091349) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide
PubChem CID91091349
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1c(O)cc(C)c1O
InChIInChI=1S/C10H16N2O3/c1-7-6-9(14)12(10(7)15)5-3-4-8(13)11-2/h6,14-15H,3-5H2,1-2H3,(H,11,13)
InChIKeyXIMXEMBBJCZHMV-UHFFFAOYSA-N
XLogP0.73
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-Ethenyl-1-ethylpyrrole-2,5-diol
CID 91470205
1-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
CID 123225679
3-ethenyl-1-(114C)ethylpyrrole-2,5-diol
CID 90781057
1,3-Dimethylpyrrole-2,5-diol
CID 53675327
3-[(dimethylamino)methyl]-1H-pyrrole-2,5-diol
CID 53696700
3-Methyl-1-[2-(methylamino)ethyl]pyrrole-2,5-diol
CID 53700085
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
4-(2,5-Dihydroxypyrrol-1-yl)-4-oxobutanamide
CID 53947553
3-Methyl-1-piperidin-4-ylpyrrole-2,5-diol
CID 53987797
6-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 54034188
3-(2,5-Dihydroxypyrrol-1-yl)pyrrolidin-2-one
CID 54111603
N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
CID 54131664

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide (CID 91091349) is 4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide is CNC(=O)CCCn1c(O)cc(C)c1O.
What is the InChIKey of 4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide?
The InChIKey is XIMXEMBBJCZHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7-6-9(14)12(10(7)15)5-3-4-8(13)11-2/h6,14-15H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide?
4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide has a molecular weight of 212.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide is sourced from PubChem (CID 91091349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).