5-methyl-4-undecyl-2H-pyrrole

C16H29N — CID 140967566

IUPAC5-methyl-4-undecyl-2H-pyrrole
SMILESCCCCCCCCCCCC1=CCN=C1C
InChIInChI=1S/C16H29N/c1-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15(16)2/h13H,3-12,14H2,1-2H3
InChIKeyASJNDASAVZGRIZ-UHFFFAOYSA-N
MW235.41 g/mol
LogP5.31
Rot. Bonds10

About 5-methyl-4-undecyl-2H-pyrrole

5-methyl-4-undecyl-2H-pyrrole (PubChem CID 140967566) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 5-methyl-4-undecyl-2H-pyrrole.

Molecular Properties

Compound Name5-methyl-4-undecyl-2H-pyrrole
PubChem CID140967566
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name5-methyl-4-undecyl-2H-pyrrole
SMILESCCCCCCCCCCCC1=CCN=C1C
InChIInChI=1S/C16H29N/c1-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15(16)2/h13H,3-12,14H2,1-2H3
InChIKeyASJNDASAVZGRIZ-UHFFFAOYSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
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
Azabicyclononene
CID 67125311
5-(6-fluorohexyl)-2H-pyrrole
CID 54509639
5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
CID 10057693
5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
(4E)-4-ethylidene-5-heptyl-2,3-dihydropyrrole
CID 101476035
3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole
CID 20674236
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
5-undec-10-enyl-2H-pyrrole
CID 54135361

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-undecyl-2H-pyrrole?
The IUPAC name of 5-methyl-4-undecyl-2H-pyrrole (CID 140967566) is 5-methyl-4-undecyl-2H-pyrrole.
What is the SMILES notation for 5-methyl-4-undecyl-2H-pyrrole?
The canonical SMILES for 5-methyl-4-undecyl-2H-pyrrole is CCCCCCCCCCCC1=CCN=C1C.
What is the InChIKey of 5-methyl-4-undecyl-2H-pyrrole?
The InChIKey is ASJNDASAVZGRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15(16)2/h13H,3-12,14H2,1-2H3.
What are the key properties of 5-methyl-4-undecyl-2H-pyrrole?
5-methyl-4-undecyl-2H-pyrrole has a molecular weight of 235.41 g/mol, XLogP of 5.31, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-undecyl-2H-pyrrole is sourced from PubChem (CID 140967566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).