11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid

C15H23NO4 — CID 91288827

IUPAC11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid
SMILESO=C(O)CCCCCCCCC=Cn1c(O)ccc1O
InChIInChI=1S/C15H23NO4/c17-13-10-11-14(18)16(13)12-8-6-4-2-1-3-5-7-9-15(19)20/h8,10-12,17-18H,1-7,9H2,(H,19,20)
InChIKeyHGXVRSPXIZJNGQ-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.58
Rot. Bonds10

About 11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid

11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid (PubChem CID 91288827) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid.

Molecular Properties

Compound Name11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid
PubChem CID91288827
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid
SMILESO=C(O)CCCCCCCCC=Cn1c(O)ccc1O
InChIInChI=1S/C15H23NO4/c17-13-10-11-14(18)16(13)12-8-6-4-2-1-3-5-7-9-15(19)20/h8,10-12,17-18H,1-7,9H2,(H,19,20)
InChIKeyHGXVRSPXIZJNGQ-UHFFFAOYSA-N
XLogP3.58
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.58
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
16-(2,5-Dihydroxypyrrol-1-yl)oxy-16-oxohexadecanoic acid
CID 53736124
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
18-(2,5-Dihydroxypyrrol-1-yl)-2-sulfooctadec-9-enoic acid
CID 53808774
(2,5-Dihydroxypyrrol-1-yl) octadec-9-enoate
CID 54084610
(2,5-Dihydroxypyrrol-1-yl) hexadecanoate
CID 54247195
(2,5-Dihydroxypyrrol-1-yl) 5-(dithiolan-3-yl)pentanoate
CID 54293186
Bis(2,5-dihydroxypyrrol-1-yl) octanedioate
CID 54365501
10-(2,5-Dihydroxypyrrol-1-yl)undec-2-enoic acid
CID 90702857
16-(2,5-Dihydroxypyrrol-1-yl)-16-sulfohexadecanoic acid
CID 91219946
(2,5-Dihydroxypyrrol-1-yl) 11-sulfanylundecanoate
CID 91565220

Frequently Asked Questions

What is the IUPAC name of 11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid?
The IUPAC name of 11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid (CID 91288827) is 11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid.
What is the SMILES notation for 11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid?
The canonical SMILES for 11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid is O=C(O)CCCCCCCCC=Cn1c(O)ccc1O.
What is the InChIKey of 11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid?
The InChIKey is HGXVRSPXIZJNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c17-13-10-11-14(18)16(13)12-8-6-4-2-1-3-5-7-9-15(19)20/h8,10-12,17-18H,1-7,9H2,(H,19,20).
What are the key properties of 11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid?
11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid has a molecular weight of 281.35 g/mol, XLogP of 3.58, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,5-dihydroxypyrrol-1-yl)undec-10-enoic acid is sourced from PubChem (CID 91288827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).