5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole

C15H25N — CID 101352135

IUPAC5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole
SMILESC/C=C/C/C=C/CC1CCC(CCCC)=N1
InChIInChI=1S/C15H25N/c1-3-5-7-8-9-11-15-13-12-14(16-15)10-6-4-2/h3,5,8-9,15H,4,6-7,10-13H2,1-2H3/b5-3+,9-8+
InChIKeyJNPJOLJFDRQUOE-YEQUJYSKSA-N
MW219.37 g/mol
LogP4.69
Rot. Bonds7

About 5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole

5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole (PubChem CID 101352135) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole
PubChem CID101352135
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole
SMILESC/C=C/C/C=C/CC1CCC(CCCC)=N1
InChIInChI=1S/C15H25N/c1-3-5-7-8-9-11-15-13-12-14(16-15)10-6-4-2/h3,5,8-9,15H,4,6-7,10-13H2,1-2H3/b5-3+,9-8+
InChIKeyJNPJOLJFDRQUOE-YEQUJYSKSA-N
XLogP4.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole
CID 14106263
Lanopylin B1
CID 10087332
2-Hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole
CID 557705
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
2H-Pyrrole, 5-(5-hexenyl)-3,4-dihydro-2-(8-nonenyl)-
CID 158017
2-butyl-5-hepta-1,3-dienyl-3,4-dihydro-2H-pyrrole
CID 600717
5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
CID 10057693
2-(3-Butenyl)-6-methyl-2,3,4,5-tetrahydropyridine
CID 129798131
2H-Pyrrole, 5-(5-hexenyl)-3,4-dihydro-
CID 10012094

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole (CID 101352135) is 5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole is C/C=C/C/C=C/CC1CCC(CCCC)=N1.
What is the InChIKey of 5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is JNPJOLJFDRQUOE-YEQUJYSKSA-N. The full InChI is InChI=1S/C15H25N/c1-3-5-7-8-9-11-15-13-12-14(16-15)10-6-4-2/h3,5,8-9,15H,4,6-7,10-13H2,1-2H3/b5-3+,9-8+.
What are the key properties of 5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole?
5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 219.37 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[(2E,5E)-hepta-2,5-dienyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 101352135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).