(2,5-dihydroxypyrrol-1-yl) undec-2-enoate

C15H23NO4 — CID 90963962

IUPAC(2,5-dihydroxypyrrol-1-yl) undec-2-enoate
SMILESCCCCCCCCC=CC(=O)On1c(O)ccc1O
InChIInChI=1S/C15H23NO4/c1-2-3-4-5-6-7-8-9-10-15(19)20-16-13(17)11-12-14(16)18/h9-12,17-18H,2-8H2,1H3
InChIKeyDMGSUZHBGUBYKR-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.16
Rot. Bonds9

About (2,5-dihydroxypyrrol-1-yl) undec-2-enoate

(2,5-dihydroxypyrrol-1-yl) undec-2-enoate (PubChem CID 90963962) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) undec-2-enoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) undec-2-enoate
PubChem CID90963962
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(2,5-dihydroxypyrrol-1-yl) undec-2-enoate
SMILESCCCCCCCCC=CC(=O)On1c(O)ccc1O
InChIInChI=1S/C15H23NO4/c1-2-3-4-5-6-7-8-9-10-15(19)20-16-13(17)11-12-14(16)18/h9-12,17-18H,2-8H2,1H3
InChIKeyDMGSUZHBGUBYKR-UHFFFAOYSA-N
XLogP3.16
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) prop-2-enoate
CID 53643718
(2,5-Dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate
CID 53669639
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
16-(2,5-Dihydroxypyrrol-1-yl)oxy-16-oxohexadecanoic acid
CID 53736124
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
(2,5-Dihydroxypyrrol-1-yl) octadec-9-enoate
CID 54084610
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325
(2,5-Dihydroxypyrrol-1-yl) 2-methylprop-2-enoate
CID 54196822
(2,5-Dihydroxypyrrol-1-yl) hexadecanoate
CID 54247195
(2,5-Dihydroxypyrrol-1-yl) 2-iodoacetate
CID 54322694

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) undec-2-enoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) undec-2-enoate (CID 90963962) is (2,5-dihydroxypyrrol-1-yl) undec-2-enoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) undec-2-enoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) undec-2-enoate is CCCCCCCCC=CC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) undec-2-enoate?
The InChIKey is DMGSUZHBGUBYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-2-3-4-5-6-7-8-9-10-15(19)20-16-13(17)11-12-14(16)18/h9-12,17-18H,2-8H2,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) undec-2-enoate?
(2,5-dihydroxypyrrol-1-yl) undec-2-enoate has a molecular weight of 281.35 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) undec-2-enoate is sourced from PubChem (CID 90963962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).