10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid

C15H23NO4 — CID 90702857

IUPAC10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid
SMILESCC(CCCCCCC=CC(=O)O)n1c(O)ccc1O
InChIInChI=1S/C15H23NO4/c1-12(16-13(17)10-11-14(16)18)8-6-4-2-3-5-7-9-15(19)20/h7,9-12,17-18H,2-6,8H2,1H3,(H,19,20)
InChIKeyLNXIHOHYJVETGQ-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.44
Rot. Bonds9

About 10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid

10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid (PubChem CID 90702857) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid.

Molecular Properties

Compound Name10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid
PubChem CID90702857
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid
SMILESCC(CCCCCCC=CC(=O)O)n1c(O)ccc1O
InChIInChI=1S/C15H23NO4/c1-12(16-13(17)10-11-14(16)18)8-6-4-2-3-5-7-9-15(19)20/h7,9-12,17-18H,2-6,8H2,1H3,(H,19,20)
InChIKeyLNXIHOHYJVETGQ-UHFFFAOYSA-N
XLogP3.44
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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) undec-2-enoate
CID 90963962
11-(2,5-Dihydroxypyrrol-1-yl)undec-10-enoic acid
CID 91288827
1-(3,7-Dimethylocta-2,6-dienyl)pyrrole-2,5-diol
CID 53671195
1-Heptylpyrrole-2,5-diol
CID 53681999
1-Octadecylpyrrole-2,5-diol
CID 53699736
5-(2,5-Dihydroxypyrrol-1-yl)-2-methylidenepentanoic acid
CID 53706268
3-(2,5-Dihydroxypyrrol-1-yl)propyl-hexadecyl-dimethylazanium
CID 53718629
8-(2,5-Dihydroxypyrrol-1-yl)-2-methylideneoctanoic acid
CID 53807352
3-Methyl-1-octylpyrrole-2,5-diol
CID 53873295
1-[10-(Dimethylamino)decyl]pyrrole-2,5-diol
CID 53913410
1-Docosylpyrrole-2,5-diol
CID 53947028
7-(2,5-Dihydroxypyrrol-1-yl)heptanoic acid
CID 53964658

Frequently Asked Questions

What is the IUPAC name of 10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid?
The IUPAC name of 10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid (CID 90702857) is 10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid.
What is the SMILES notation for 10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid?
The canonical SMILES for 10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid is CC(CCCCCCC=CC(=O)O)n1c(O)ccc1O.
What is the InChIKey of 10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid?
The InChIKey is LNXIHOHYJVETGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-12(16-13(17)10-11-14(16)18)8-6-4-2-3-5-7-9-15(19)20/h7,9-12,17-18H,2-6,8H2,1H3,(H,19,20).
What are the key properties of 10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid?
10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid has a molecular weight of 281.35 g/mol, XLogP of 3.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,5-dihydroxypyrrol-1-yl)undec-2-enoic acid is sourced from PubChem (CID 90702857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).