1-hex-5-en-2-ylidenepyrrolidin-1-ium

C10H18N+ — CID 102353498

IUPAC1-hex-5-en-2-ylidenepyrrolidin-1-ium
SMILESC=CCCC(C)=[N+]1CCCC1
InChIInChI=1S/C10H18N/c1-3-4-7-10(2)11-8-5-6-9-11/h3H,1,4-9H2,2H3/q+1
InChIKeyYCERHIKNMKXSCC-UHFFFAOYSA-N
MW152.26 g/mol
LogP2.22
Rot. Bonds3

About 1-hex-5-en-2-ylidenepyrrolidin-1-ium

1-hex-5-en-2-ylidenepyrrolidin-1-ium (PubChem CID 102353498) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is 1-hex-5-en-2-ylidenepyrrolidin-1-ium.

Molecular Properties

Compound Name1-hex-5-en-2-ylidenepyrrolidin-1-ium
PubChem CID102353498
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name1-hex-5-en-2-ylidenepyrrolidin-1-ium
SMILESC=CCCC(C)=[N+]1CCCC1
InChIInChI=1S/C10H18N/c1-3-4-7-10(2)11-8-5-6-9-11/h3H,1,4-9H2,2H3/q+1
InChIKeyYCERHIKNMKXSCC-UHFFFAOYSA-N
XLogP2.22
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Cyclopent-2-en-1-ylidenepyrrolidin-1-ium
CID 135033014
1-Cyclohex-2-en-1-ylidenepyrrolidin-1-ium
CID 102044419
1-(6-Methylhept-5-en-2-ylidene)pyrrolidin-1-ium
CID 102353499

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-en-2-ylidenepyrrolidin-1-ium?
The IUPAC name of 1-hex-5-en-2-ylidenepyrrolidin-1-ium (CID 102353498) is 1-hex-5-en-2-ylidenepyrrolidin-1-ium.
What is the SMILES notation for 1-hex-5-en-2-ylidenepyrrolidin-1-ium?
The canonical SMILES for 1-hex-5-en-2-ylidenepyrrolidin-1-ium is C=CCCC(C)=[N+]1CCCC1.
What is the InChIKey of 1-hex-5-en-2-ylidenepyrrolidin-1-ium?
The InChIKey is YCERHIKNMKXSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N/c1-3-4-7-10(2)11-8-5-6-9-11/h3H,1,4-9H2,2H3/q+1.
What are the key properties of 1-hex-5-en-2-ylidenepyrrolidin-1-ium?
1-hex-5-en-2-ylidenepyrrolidin-1-ium has a molecular weight of 152.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-en-2-ylidenepyrrolidin-1-ium is sourced from PubChem (CID 102353498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).