6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide

C13H16N2O5 — CID 54249191

IUPAC6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide
SMILESC=CC(=O)NC(=O)CCCCC(=O)n1c(O)ccc1O
InChIInChI=1S/C13H16N2O5/c1-2-9(16)14-10(17)5-3-4-6-11(18)15-12(19)7-8-13(15)20/h2,7-8,19-20H,1,3-6H2,(H,14,16,17)
InChIKeyQVNMYKQNWCDHRJ-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.93
Rot. Bonds6

About 6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide

6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide (PubChem CID 54249191) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide.

Molecular Properties

Compound Name6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide
PubChem CID54249191
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide
SMILESC=CC(=O)NC(=O)CCCCC(=O)n1c(O)ccc1O
InChIInChI=1S/C13H16N2O5/c1-2-9(16)14-10(17)5-3-4-6-11(18)15-12(19)7-8-13(15)20/h2,7-8,19-20H,1,3-6H2,(H,14,16,17)
InChIKeyQVNMYKQNWCDHRJ-UHFFFAOYSA-N
XLogP0.93
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-Dihydroxypyrrol-1-yl)propan-1-one
CID 53632841
(2,5-Dihydroxypyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 54539923
3-(2,5-Dihydroxypyrrol-1-yl)pyrrole-2,5-dione
CID 53646356
(2,5-Dihydroxypyrrol-1-yl) 4-[6-(prop-2-enoylamino)hexanoylamino]butanoate
CID 53710762
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
(2,5-Dihydroxypyrrol-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate
CID 53745223
2-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 53928477
4-(2,5-Dihydroxypyrrol-1-yl)-4-oxobutanamide
CID 53947553
6-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 54034188
6-(2,5-Dihydroxypyrrol-1-yl)hexanehydrazide
CID 54078590
(2,5-Dihydroxypyrrol-1-yl) 6-(prop-2-enoylamino)hexanoate
CID 54176926
1-(2,5-Dihydroxypyrrol-1-yl)prop-2-en-1-one
CID 54260308

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide?
The IUPAC name of 6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide (CID 54249191) is 6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide.
What is the SMILES notation for 6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide?
The canonical SMILES for 6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide is C=CC(=O)NC(=O)CCCCC(=O)n1c(O)ccc1O.
What is the InChIKey of 6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide?
The InChIKey is QVNMYKQNWCDHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-2-9(16)14-10(17)5-3-4-6-11(18)15-12(19)7-8-13(15)20/h2,7-8,19-20H,1,3-6H2,(H,14,16,17).
What are the key properties of 6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide?
6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide has a molecular weight of 280.28 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide is sourced from PubChem (CID 54249191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).