5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole

C15H27N — CID 70622203

IUPAC5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole
SMILESCCCCC=CC1=NC(CCCCC)CC1
InChIInChI=1S/C15H27N/c1-3-5-7-9-11-15-13-12-14(16-15)10-8-6-4-2/h9,11,14H,3-8,10,12-13H2,1-2H3
InChIKeyYEOPLOMKNFFIBU-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.92
Rot. Bonds8

About 5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole

5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole (PubChem CID 70622203) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole
PubChem CID70622203
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole
SMILESCCCCC=CC1=NC(CCCCC)CC1
InChIInChI=1S/C15H27N/c1-3-5-7-9-11-15-13-12-14(16-15)10-8-6-4-2/h9,11,14H,3-8,10,12-13H2,1-2H3
InChIKeyYEOPLOMKNFFIBU-UHFFFAOYSA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.92
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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Frequently Asked Questions

What is the IUPAC name of 5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole (CID 70622203) is 5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole is CCCCC=CC1=NC(CCCCC)CC1.
What is the InChIKey of 5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole?
The InChIKey is YEOPLOMKNFFIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-3-5-7-9-11-15-13-12-14(16-15)10-8-6-4-2/h9,11,14H,3-8,10,12-13H2,1-2H3.
What are the key properties of 5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole?
5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole has a molecular weight of 221.39 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 70622203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).