1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium

C10H16N+ — CID 102044419

IUPAC1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium
SMILESC1=CC(=[N+]2CCCC2)CCC1
InChIInChI=1S/C10H16N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h2,6H,1,3-5,7-9H2/q+1
InChIKeyGNIAPJPUBKTHNA-UHFFFAOYSA-N
MW150.25 g/mol
LogP1.97
Rot. Bonds

About 1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium

1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium (PubChem CID 102044419) has the molecular formula C10H16N+ and a molecular weight of 150.25 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium.

Molecular Properties

Compound Name1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium
PubChem CID102044419
Molecular FormulaC10H16N+
Molecular Weight150.25 g/mol
Exact Mass150.13
IUPAC Name1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium
SMILESC1=CC(=[N+]2CCCC2)CCC1
InChIInChI=1S/C10H16N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h2,6H,1,3-5,7-9H2/q+1
InChIKeyGNIAPJPUBKTHNA-UHFFFAOYSA-N
XLogP1.97
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 51.97
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-Cyclopent-2-en-1-ylidenepyrrolidin-1-ium
CID 135033014
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium?
The IUPAC name of 1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium (CID 102044419) is 1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium.
What is the SMILES notation for 1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium?
The canonical SMILES for 1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium is C1=CC(=[N+]2CCCC2)CCC1.
What is the InChIKey of 1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium?
The InChIKey is GNIAPJPUBKTHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h2,6H,1,3-5,7-9H2/q+1.
What are the key properties of 1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium?
1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium has a molecular weight of 150.25 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-ylidenepyrrolidin-1-ium is sourced from PubChem (CID 102044419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).