2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole

C19H33N — CID 557705

IUPAC2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole
SMILESC=CCCCCCCCC1=NC(CCCCC=C)CC1
InChIInChI=1S/C19H33N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h3-4,18H,1-2,5-17H2
InChIKeyJRNMZRPLKGPMHB-UHFFFAOYSA-N
MW275.48 g/mol
LogP6.25
Rot. Bonds13

About 2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole

2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole (PubChem CID 557705) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole
PubChem CID557705
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole
SMILESC=CCCCCCCCC1=NC(CCCCC=C)CC1
InChIInChI=1S/C19H33N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h3-4,18H,1-2,5-17H2
InChIKeyJRNMZRPLKGPMHB-UHFFFAOYSA-N
XLogP6.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.25
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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Frequently Asked Questions

What is the IUPAC name of 2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole (CID 557705) is 2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole is C=CCCCCCCCC1=NC(CCCCC=C)CC1.
What is the InChIKey of 2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole?
The InChIKey is JRNMZRPLKGPMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h3-4,18H,1-2,5-17H2.
What are the key properties of 2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole?
2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole has a molecular weight of 275.48 g/mol, XLogP of 6.25, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 557705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).