1-undec-10-enylpyrrole-2,5-diol

C15H25NO2 — CID 54078128

IUPAC1-undec-10-enylpyrrole-2,5-diol
SMILESC=CCCCCCCCCCn1c(O)ccc1O
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-13-16-14(17)11-12-15(16)18/h2,11-12,17-18H,1,3-10,13H2
InChIKeyMLDOBVUTKJFHKG-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.21
Rot. Bonds10

About 1-undec-10-enylpyrrole-2,5-diol

1-undec-10-enylpyrrole-2,5-diol (PubChem CID 54078128) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-undec-10-enylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-undec-10-enylpyrrole-2,5-diol
PubChem CID54078128
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-undec-10-enylpyrrole-2,5-diol
SMILESC=CCCCCCCCCCn1c(O)ccc1O
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-13-16-14(17)11-12-15(16)18/h2,11-12,17-18H,1,3-10,13H2
InChIKeyMLDOBVUTKJFHKG-UHFFFAOYSA-N
XLogP4.21
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-undec-10-enylpyrrole-2,5-diol?
The IUPAC name of 1-undec-10-enylpyrrole-2,5-diol (CID 54078128) is 1-undec-10-enylpyrrole-2,5-diol.
What is the SMILES notation for 1-undec-10-enylpyrrole-2,5-diol?
The canonical SMILES for 1-undec-10-enylpyrrole-2,5-diol is C=CCCCCCCCCCn1c(O)ccc1O.
What is the InChIKey of 1-undec-10-enylpyrrole-2,5-diol?
The InChIKey is MLDOBVUTKJFHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-13-16-14(17)11-12-15(16)18/h2,11-12,17-18H,1,3-10,13H2.
What are the key properties of 1-undec-10-enylpyrrole-2,5-diol?
1-undec-10-enylpyrrole-2,5-diol has a molecular weight of 251.37 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undec-10-enylpyrrole-2,5-diol is sourced from PubChem (CID 54078128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).