(3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol

C18H35NO — CID 141262182

IUPAC(3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol
SMILESCCCCCCCCCCCC1=CC(CC)(CO)CN1
InChIInChI=1S/C18H35NO/c1-3-5-6-7-8-9-10-11-12-13-17-14-18(4-2,16-20)15-19-17/h14,19-20H,3-13,15-16H2,1-2H3
InChIKeyFZUOCHKZLUFIJJ-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.78
Rot. Bonds12

About (3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol

(3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol (PubChem CID 141262182) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is (3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol
PubChem CID141262182
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name(3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol
SMILESCCCCCCCCCCCC1=CC(CC)(CO)CN1
InChIInChI=1S/C18H35NO/c1-3-5-6-7-8-9-10-11-12-13-17-14-18(4-2,16-20)15-19-17/h14,19-20H,3-13,15-16H2,1-2H3
InChIKeyFZUOCHKZLUFIJJ-UHFFFAOYSA-N
XLogP4.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-Methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol
CID 141262181
(5-Heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol
CID 141262183
[5-[(E)-heptadec-8-enyl]-3-methyl-1,2-dihydropyrrol-3-yl]methanol
CID 141262186
2-[[2-(Cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81411299
2-[[2-(Cyclopenten-1-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 106169193
2-[[2-(Cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol
CID 106170139

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol?
The IUPAC name of (3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol (CID 141262182) is (3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol.
What is the SMILES notation for (3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol?
The canonical SMILES for (3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol is CCCCCCCCCCCC1=CC(CC)(CO)CN1.
What is the InChIKey of (3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol?
The InChIKey is FZUOCHKZLUFIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-5-6-7-8-9-10-11-12-13-17-14-18(4-2,16-20)15-19-17/h14,19-20H,3-13,15-16H2,1-2H3.
What are the key properties of (3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol?
(3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol has a molecular weight of 281.48 g/mol, XLogP of 4.78, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol is sourced from PubChem (CID 141262182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).