5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole

C17H33N — CID 22215340

IUPAC5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole
SMILESCCCCCCCCCCCC1CC=C(CC)N1
InChIInChI=1S/C17H33N/c1-3-5-6-7-8-9-10-11-12-13-17-15-14-16(4-2)18-17/h14,17-18H,3-13,15H2,1-2H3
InChIKeyNZCUGKIBLPRGPX-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.56
Rot. Bonds11

About 5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole

5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole (PubChem CID 22215340) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole
PubChem CID22215340
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole
SMILESCCCCCCCCCCCC1CC=C(CC)N1
InChIInChI=1S/C17H33N/c1-3-5-6-7-8-9-10-11-12-13-17-15-14-16(4-2)18-17/h14,17-18H,3-13,15H2,1-2H3
InChIKeyNZCUGKIBLPRGPX-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole (CID 22215340) is 5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole is CCCCCCCCCCCC1CC=C(CC)N1.
What is the InChIKey of 5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole?
The InChIKey is NZCUGKIBLPRGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-3-5-6-7-8-9-10-11-12-13-17-15-14-16(4-2)18-17/h14,17-18H,3-13,15H2,1-2H3.
What are the key properties of 5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole?
5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole has a molecular weight of 251.46 g/mol, XLogP of 5.56, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-undecyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 22215340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).