N-pyridin-1-ium-1-ylcyclopentanecarboxamide

C11H15N2O+ — CID 12925123

IUPACN-pyridin-1-ium-1-ylcyclopentanecarboxamide
SMILESO=C(N[n+]1ccccc1)C1CCCC1
InChIInChI=1S/C11H14N2O/c14-11(10-6-2-3-7-10)12-13-8-4-1-5-9-13/h1,4-5,8-10H,2-3,6-7H2/p+1
InChIKeyXUHUJSXVNICDGC-UHFFFAOYSA-O
MW191.25 g/mol
LogP1.23
Rot. Bonds2

About N-pyridin-1-ium-1-ylcyclopentanecarboxamide

N-pyridin-1-ium-1-ylcyclopentanecarboxamide (PubChem CID 12925123) has the molecular formula C11H15N2O+ and a molecular weight of 191.25 g/mol. Its IUPAC name is N-pyridin-1-ium-1-ylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-pyridin-1-ium-1-ylcyclopentanecarboxamide
PubChem CID12925123
Molecular FormulaC11H15N2O+
Molecular Weight191.25 g/mol
Exact Mass191.12
IUPAC NameN-pyridin-1-ium-1-ylcyclopentanecarboxamide
SMILESO=C(N[n+]1ccccc1)C1CCCC1
InChIInChI=1S/C11H14N2O/c14-11(10-6-2-3-7-10)12-13-8-4-1-5-9-13/h1,4-5,8-10H,2-3,6-7H2/p+1
InChIKeyXUHUJSXVNICDGC-UHFFFAOYSA-O
XLogP1.23
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-pyridin-1-ium-1-ylcyclopentanecarboxamide?
The IUPAC name of N-pyridin-1-ium-1-ylcyclopentanecarboxamide (CID 12925123) is N-pyridin-1-ium-1-ylcyclopentanecarboxamide.
What is the SMILES notation for N-pyridin-1-ium-1-ylcyclopentanecarboxamide?
The canonical SMILES for N-pyridin-1-ium-1-ylcyclopentanecarboxamide is O=C(N[n+]1ccccc1)C1CCCC1.
What is the InChIKey of N-pyridin-1-ium-1-ylcyclopentanecarboxamide?
The InChIKey is XUHUJSXVNICDGC-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14N2O/c14-11(10-6-2-3-7-10)12-13-8-4-1-5-9-13/h1,4-5,8-10H,2-3,6-7H2/p+1.
What are the key properties of N-pyridin-1-ium-1-ylcyclopentanecarboxamide?
N-pyridin-1-ium-1-ylcyclopentanecarboxamide has a molecular weight of 191.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-1-ium-1-ylcyclopentanecarboxamide is sourced from PubChem (CID 12925123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).