6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide

C12H20N2O3 — CID 91261605

IUPAC6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide
SMILESCNC(=O)CCCCCn1c(O)cc(C)c1O
InChIInChI=1S/C12H20N2O3/c1-9-8-11(16)14(12(9)17)7-5-3-4-6-10(15)13-2/h8,16-17H,3-7H2,1-2H3,(H,13,15)
InChIKeyIKVHYOHJXUWDPY-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.51
Rot. Bonds6

About 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide

6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide (PubChem CID 91261605) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide.

Molecular Properties

Compound Name6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide
PubChem CID91261605
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide
SMILESCNC(=O)CCCCCn1c(O)cc(C)c1O
InChIInChI=1S/C12H20N2O3/c1-9-8-11(16)14(12(9)17)7-5-3-4-6-10(15)13-2/h8,16-17H,3-7H2,1-2H3,(H,13,15)
InChIKeyIKVHYOHJXUWDPY-UHFFFAOYSA-N
XLogP1.51
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.51
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

N-[13-(2,5-dihydroxypyrrol-1-yl)-12-oxotridecyl]-2,2,2-trifluoroacetamide
CID 91303808
3-Methyl-1-[2-(methylamino)ethyl]pyrrole-2,5-diol
CID 53700085
1-(6-Aminohexyl)-3-oct-1-enylpyrrole-2,5-diol
CID 53725418
(2,5-Dihydroxypyrrol-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate
CID 53745223
3-Methyl-1-octylpyrrole-2,5-diol
CID 53873295
2-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 53928477
3-Methyl-1-piperidin-4-ylpyrrole-2,5-diol
CID 53987797
6-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 54034188
6-(2,5-Dihydroxypyrrol-1-yl)hexanehydrazide
CID 54078590
N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
CID 54131664
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide
CID 54146652
6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide
CID 54249191

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide?
The IUPAC name of 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide (CID 91261605) is 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide.
What is the SMILES notation for 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide?
The canonical SMILES for 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide is CNC(=O)CCCCCn1c(O)cc(C)c1O.
What is the InChIKey of 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide?
The InChIKey is IKVHYOHJXUWDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9-8-11(16)14(12(9)17)7-5-3-4-6-10(15)13-2/h8,16-17H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide?
6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide has a molecular weight of 240.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide is sourced from PubChem (CID 91261605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).