5-undec-10-enyl-2H-pyrrole

C15H25N — CID 54135361

IUPAC5-undec-10-enyl-2H-pyrrole
SMILESC=CCCCCCCCCCC1=NCC=C1
InChIInChI=1S/C15H25N/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16-15/h2,11,13H,1,3-10,12,14H2
InChIKeyFGWCALWTKHXLIP-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.69
Rot. Bonds10

About 5-undec-10-enyl-2H-pyrrole

5-undec-10-enyl-2H-pyrrole (PubChem CID 54135361) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 5-undec-10-enyl-2H-pyrrole.

Molecular Properties

Compound Name5-undec-10-enyl-2H-pyrrole
PubChem CID54135361
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name5-undec-10-enyl-2H-pyrrole
SMILESC=CCCCCCCCCCC1=NCC=C1
InChIInChI=1S/C15H25N/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16-15/h2,11,13H,1,3-10,12,14H2
InChIKeyFGWCALWTKHXLIP-UHFFFAOYSA-N
XLogP4.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
CID 102308509
12-(2H-pyrrol-5-yl)dodecanenitrile
CID 53745018
8-(2H-pyrrol-5-yl)octanenitrile
CID 54148804
N-prop-2-enylcyclopent-3-en-1-imine
CID 57285270

Frequently Asked Questions

What is the IUPAC name of 5-undec-10-enyl-2H-pyrrole?
The IUPAC name of 5-undec-10-enyl-2H-pyrrole (CID 54135361) is 5-undec-10-enyl-2H-pyrrole.
What is the SMILES notation for 5-undec-10-enyl-2H-pyrrole?
The canonical SMILES for 5-undec-10-enyl-2H-pyrrole is C=CCCCCCCCCCC1=NCC=C1.
What is the InChIKey of 5-undec-10-enyl-2H-pyrrole?
The InChIKey is FGWCALWTKHXLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16-15/h2,11,13H,1,3-10,12,14H2.
What are the key properties of 5-undec-10-enyl-2H-pyrrole?
5-undec-10-enyl-2H-pyrrole has a molecular weight of 219.37 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-undec-10-enyl-2H-pyrrole is sourced from PubChem (CID 54135361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).