1,2,3,4,5-pentamethylidenepyrrolidin-1-ium

C9H10N+ — CID 18759385

IUPAC1,2,3,4,5-pentamethylidenepyrrolidin-1-ium
SMILESC=C1C(=C)C(=C)[N+](=C)C1=C
InChIInChI=1S/C9H10N/c1-6-7(2)9(4)10(5)8(6)3/h1-5H2/q+1
InChIKeyIXTPCKFZLDNYCX-UHFFFAOYSA-N
MW132.19 g/mol
LogP1.85
Rot. Bonds

About 1,2,3,4,5-pentamethylidenepyrrolidin-1-ium

1,2,3,4,5-pentamethylidenepyrrolidin-1-ium (PubChem CID 18759385) has the molecular formula C9H10N+ and a molecular weight of 132.19 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethylidenepyrrolidin-1-ium.

Molecular Properties

Compound Name1,2,3,4,5-pentamethylidenepyrrolidin-1-ium
PubChem CID18759385
Molecular FormulaC9H10N+
Molecular Weight132.19 g/mol
Exact Mass132.08
IUPAC Name1,2,3,4,5-pentamethylidenepyrrolidin-1-ium
SMILESC=C1C(=C)C(=C)[N+](=C)C1=C
InChIInChI=1S/C9H10N/c1-6-7(2)9(4)10(5)8(6)3/h1-5H2/q+1
InChIKeyIXTPCKFZLDNYCX-UHFFFAOYSA-N
XLogP1.85
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethylidenepyrrolidin-1-ium?
The IUPAC name of 1,2,3,4,5-pentamethylidenepyrrolidin-1-ium (CID 18759385) is 1,2,3,4,5-pentamethylidenepyrrolidin-1-ium.
What is the SMILES notation for 1,2,3,4,5-pentamethylidenepyrrolidin-1-ium?
The canonical SMILES for 1,2,3,4,5-pentamethylidenepyrrolidin-1-ium is C=C1C(=C)C(=C)[N+](=C)C1=C.
What is the InChIKey of 1,2,3,4,5-pentamethylidenepyrrolidin-1-ium?
The InChIKey is IXTPCKFZLDNYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N/c1-6-7(2)9(4)10(5)8(6)3/h1-5H2/q+1.
What are the key properties of 1,2,3,4,5-pentamethylidenepyrrolidin-1-ium?
1,2,3,4,5-pentamethylidenepyrrolidin-1-ium has a molecular weight of 132.19 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethylidenepyrrolidin-1-ium is sourced from PubChem (CID 18759385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).