1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium

C9H14N+ — CID 135033014

IUPAC1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium
SMILESC1=CC(=[N+]2CCCC2)CC1
InChIInChI=1S/C9H14N/c1-2-6-9(5-1)10-7-3-4-8-10/h1,5H,2-4,6-8H2/q+1
InChIKeyRYZPZATWONCLQP-UHFFFAOYSA-N
MW136.22 g/mol
LogP1.58
Rot. Bonds

About 1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium

1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium (PubChem CID 135033014) has the molecular formula C9H14N+ and a molecular weight of 136.22 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium.

Molecular Properties

Compound Name1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium
PubChem CID135033014
Molecular FormulaC9H14N+
Molecular Weight136.22 g/mol
Exact Mass136.11
IUPAC Name1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium
SMILESC1=CC(=[N+]2CCCC2)CC1
InChIInChI=1S/C9H14N/c1-2-6-9(5-1)10-7-3-4-8-10/h1,5H,2-4,6-8H2/q+1
InChIKeyRYZPZATWONCLQP-UHFFFAOYSA-N
XLogP1.58
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohex-2-en-1-ylidenepyrrolidin-1-ium
CID 102044419
1-Hex-5-en-2-ylidenepyrrolidin-1-ium
CID 102353498
1-(6-Methylhept-5-en-2-ylidene)pyrrolidin-1-ium
CID 102353499
(Z)-N-(pyrrolidin-1-ylmethyl)dec-5-en-4-imine
CID 143541055
(2E)-2-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)pyrrolidin-1-ide
CID 177575634

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium?
The IUPAC name of 1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium (CID 135033014) is 1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium.
What is the SMILES notation for 1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium?
The canonical SMILES for 1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium is C1=CC(=[N+]2CCCC2)CC1.
What is the InChIKey of 1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium?
The InChIKey is RYZPZATWONCLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N/c1-2-6-9(5-1)10-7-3-4-8-10/h1,5H,2-4,6-8H2/q+1.
What are the key properties of 1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium?
1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium has a molecular weight of 136.22 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-2-en-1-ylidenepyrrolidin-1-ium is sourced from PubChem (CID 135033014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).