5-dodecyl-2H-pyrrole

C16H29N — CID 140967571

IUPAC5-dodecyl-2H-pyrrole
SMILESCCCCCCCCCCCCC1=NCC=C1
InChIInChI=1S/C16H29N/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17-16/h12,14H,2-11,13,15H2,1H3
InChIKeyGONCTNMBGFEMTJ-UHFFFAOYSA-N
MW235.41 g/mol
LogP5.31
Rot. Bonds11

About 5-dodecyl-2H-pyrrole

5-dodecyl-2H-pyrrole (PubChem CID 140967571) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 5-dodecyl-2H-pyrrole.

Molecular Properties

Compound Name5-dodecyl-2H-pyrrole
PubChem CID140967571
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name5-dodecyl-2H-pyrrole
SMILESCCCCCCCCCCCCC1=NCC=C1
InChIInChI=1S/C16H29N/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17-16/h12,14H,2-11,13,15H2,1H3
InChIKeyGONCTNMBGFEMTJ-UHFFFAOYSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.31
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

Lanopylin B1
CID 10087332
4-Heptadecylidene-5-methyl-3,4-dihydro-2H-pyrrole
CID 71374074
Lanopylin B2
CID 11279421
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
CID 72781473
Koreenceine A
CID 146683591
5-(6-fluorohexyl)-2H-pyrrole
CID 54509639
2-butyl-5-hepta-1,3-dienyl-3,4-dihydro-2H-pyrrole
CID 600717
5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
[(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium
CID 166446028
Pyrroline, 5-butyl-2-[1,3-heptadienyl]-
CID 5374506
5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
CID 71531028
(4E)-4-ethylidene-5-heptyl-2,3-dihydropyrrole
CID 101476035

Frequently Asked Questions

What is the IUPAC name of 5-dodecyl-2H-pyrrole?
The IUPAC name of 5-dodecyl-2H-pyrrole (CID 140967571) is 5-dodecyl-2H-pyrrole.
What is the SMILES notation for 5-dodecyl-2H-pyrrole?
The canonical SMILES for 5-dodecyl-2H-pyrrole is CCCCCCCCCCCCC1=NCC=C1.
What is the InChIKey of 5-dodecyl-2H-pyrrole?
The InChIKey is GONCTNMBGFEMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17-16/h12,14H,2-11,13,15H2,1H3.
What are the key properties of 5-dodecyl-2H-pyrrole?
5-dodecyl-2H-pyrrole has a molecular weight of 235.41 g/mol, XLogP of 5.31, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecyl-2H-pyrrole is sourced from PubChem (CID 140967571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).