2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole

C17H33N — CID 573986

IUPAC2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole
SMILESCCCCCCCCCCCC1=NC(CC)CC1
InChIInChI=1S/C17H33N/c1-3-5-6-7-8-9-10-11-12-13-17-15-14-16(4-2)18-17/h16H,3-15H2,1-2H3
InChIKeyHBPRPDJKSUQEEL-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.92
Rot. Bonds11

About 2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole

2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole (PubChem CID 573986) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole
PubChem CID573986
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole
SMILESCCCCCCCCCCCC1=NC(CC)CC1
InChIInChI=1S/C17H33N/c1-3-5-6-7-8-9-10-11-12-13-17-15-14-16(4-2)18-17/h16H,3-15H2,1-2H3
InChIKeyHBPRPDJKSUQEEL-UHFFFAOYSA-N
XLogP5.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hex-5-enyl-5-nonyl-3,4-dihydro-2H-pyrrole
CID 162889339
2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine
CID 15706651
4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole
CID 19844013
methyl 8-(6-pentyl-2,3,4,5-tetrahydropyridin-2-yl)octanoate
CID 10781216
(2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
CID 166775922
3-octyl-4,5-dihydro-1,2-thiazole
CID 22238552
heptane;zirconium
CID 159449678
bicyclo[2.2.1]heptane;heptane
CID 161465006
1,2-dihexylcyclohexene
CID 19795043
(2-hexylcyclopenten-1-yl)-trimethylsilane
CID 553181
4-octadecyl-5H-1,3-thiazole-2-thione
CID 21324769
2,5-dibutyl-3,4-dihydropyrazole
CID 19604013

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole (CID 573986) is 2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole is CCCCCCCCCCCC1=NC(CC)CC1.
What is the InChIKey of 2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole?
The InChIKey is HBPRPDJKSUQEEL-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/h16H,3-15H2,1-2H3.
What are the key properties of 2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole?
2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole has a molecular weight of 251.46 g/mol, XLogP of 5.92, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 573986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).