1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol

C7H14NO+ — CID 59019098

IUPAC1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol
SMILESC[N+]1(C)CC=C(O)CC1
InChIInChI=1S/C7H13NO/c1-8(2)5-3-7(9)4-6-8/h3H,4-6H2,1-2H3/p+1
InChIKeyWBPMFHOKHJMXDZ-UHFFFAOYSA-O
MW128.19 g/mol
LogP0.91
Rot. Bonds

About 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol

1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol (PubChem CID 59019098) has the molecular formula C7H14NO+ and a molecular weight of 128.19 g/mol. Its IUPAC name is 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol.

Molecular Properties

Compound Name1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol
PubChem CID59019098
Molecular FormulaC7H14NO+
Molecular Weight128.19 g/mol
Exact Mass128.11
IUPAC Name1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol
SMILESC[N+]1(C)CC=C(O)CC1
InChIInChI=1S/C7H13NO/c1-8(2)5-3-7(9)4-6-8/h3H,4-6H2,1-2H3/p+1
InChIKeyWBPMFHOKHJMXDZ-UHFFFAOYSA-O
XLogP0.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol?
The IUPAC name of 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol (CID 59019098) is 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol.
What is the SMILES notation for 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol?
The canonical SMILES for 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol is C[N+]1(C)CC=C(O)CC1.
What is the InChIKey of 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol?
The InChIKey is WBPMFHOKHJMXDZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO/c1-8(2)5-3-7(9)4-6-8/h3H,4-6H2,1-2H3/p+1.
What are the key properties of 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol?
1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol has a molecular weight of 128.19 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol is sourced from PubChem (CID 59019098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).