6-(2,5-dihydroxypyrrol-1-yl)hexanamide

C10H16N2O3 — CID 54034188

IUPAC6-(2,5-dihydroxypyrrol-1-yl)hexanamide
SMILESNC(=O)CCCCCn1c(O)ccc1O
InChIInChI=1S/C10H16N2O3/c11-8(13)4-2-1-3-7-12-9(14)5-6-10(12)15/h5-6,14-15H,1-4,7H2,(H2,11,13)
InChIKeyLHSYGLVQNRPVFH-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.94
Rot. Bonds6

About 6-(2,5-dihydroxypyrrol-1-yl)hexanamide

6-(2,5-dihydroxypyrrol-1-yl)hexanamide (PubChem CID 54034188) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-(2,5-dihydroxypyrrol-1-yl)hexanamide.

Molecular Properties

Compound Name6-(2,5-dihydroxypyrrol-1-yl)hexanamide
PubChem CID54034188
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name6-(2,5-dihydroxypyrrol-1-yl)hexanamide
SMILESNC(=O)CCCCCn1c(O)ccc1O
InChIInChI=1S/C10H16N2O3/c11-8(13)4-2-1-3-7-12-9(14)5-6-10(12)15/h5-6,14-15H,1-4,7H2,(H2,11,13)
InChIKeyLHSYGLVQNRPVFH-UHFFFAOYSA-N
XLogP0.94
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-amino-2-(2,5-dihydroxypyrrol-1-yl)hexanoic acid
CID 53646830
(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54113363
1-Pentylpyrrole-2,5-diol
CID 54382624
1-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
CID 123225679
N-[13-(2,5-dihydroxypyrrol-1-yl)-12-oxotridecyl]-2,2,2-trifluoroacetamide
CID 91303808
(2,5-Dihydroxypyrrol-1-yl) 6-(6-deuteriohexan-2-ylamino)-6-oxohexanoate
CID 91158670
1-(Piperidin-4-ylmethyl)pyrrole-2,5-diol
CID 53633036
(2,5-Dihydroxypyrrol-1-yl) 6-formamidohexanoate
CID 53633447
3-(2,5-Dihydroxypyrrol-1-yl)propyl-ethyl-dimethylazanium
CID 53638599
4-(2,5-Dihydroxypyrrol-1-yl)butan-2-one
CID 53647783
1-(2,5-Dihydroxypyrrol-1-yl)hexane-2,5-dione
CID 53664471
1-Heptylpyrrole-2,5-diol
CID 53681999

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydroxypyrrol-1-yl)hexanamide?
The IUPAC name of 6-(2,5-dihydroxypyrrol-1-yl)hexanamide (CID 54034188) is 6-(2,5-dihydroxypyrrol-1-yl)hexanamide.
What is the SMILES notation for 6-(2,5-dihydroxypyrrol-1-yl)hexanamide?
The canonical SMILES for 6-(2,5-dihydroxypyrrol-1-yl)hexanamide is NC(=O)CCCCCn1c(O)ccc1O.
What is the InChIKey of 6-(2,5-dihydroxypyrrol-1-yl)hexanamide?
The InChIKey is LHSYGLVQNRPVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c11-8(13)4-2-1-3-7-12-9(14)5-6-10(12)15/h5-6,14-15H,1-4,7H2,(H2,11,13).
What are the key properties of 6-(2,5-dihydroxypyrrol-1-yl)hexanamide?
6-(2,5-dihydroxypyrrol-1-yl)hexanamide has a molecular weight of 212.25 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydroxypyrrol-1-yl)hexanamide is sourced from PubChem (CID 54034188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).