2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole

C15H27N — CID 102308509

IUPAC2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
SMILESCCCCC/C=C/C1=NC(CCCC)CC1
InChIInChI=1S/C15H27N/c1-3-5-7-8-9-11-15-13-12-14(16-15)10-6-4-2/h9,11,14H,3-8,10,12-13H2,1-2H3/b11-9+
InChIKeyVFEHJDGZDDXICF-PKNBQFBNSA-N
MW221.39 g/mol
LogP4.92
Rot. Bonds8

About 2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole

2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole (PubChem CID 102308509) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
PubChem CID102308509
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
SMILESCCCCC/C=C/C1=NC(CCCC)CC1
InChIInChI=1S/C15H27N/c1-3-5-7-8-9-11-15-13-12-14(16-15)10-6-4-2/h9,11,14H,3-8,10,12-13H2,1-2H3/b11-9+
InChIKeyVFEHJDGZDDXICF-PKNBQFBNSA-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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Related Compounds

5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
CID 71531028
2-hex-5-enyl-5-nonyl-3,4-dihydro-2H-pyrrole
CID 162889339
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole (CID 102308509) is 2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole is CCCCC/C=C/C1=NC(CCCC)CC1.
What is the InChIKey of 2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is VFEHJDGZDDXICF-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H27N/c1-3-5-7-8-9-11-15-13-12-14(16-15)10-6-4-2/h9,11,14H,3-8,10,12-13H2,1-2H3/b11-9+.
What are the key properties of 2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole?
2-butyl-5-[(E)-hept-1-enyl]-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 2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 102308509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).