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

C7H14INO — CID 146627803

IUPAC1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-ol iodide
SMILESC[N+]1(C)CC=CC(O)C1.[I-]
InChIInChI=1S/C7H14NO.HI/c1-8(2)5-3-4-7(9)6-8;/h3-4,7,9H,5-6H2,1-2H3;1H/q+1;/p-1
InChIKeyRPYPTCYBUQCKHZ-UHFFFAOYSA-M
MW255.10 g/mol
LogP-3.00
Rot. Bonds

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

1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-ol iodide (PubChem CID 146627803) has the molecular formula C7H14INO and a molecular weight of 255.10 g/mol. Its IUPAC name is 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-ol iodide.

Molecular Properties

Compound Name1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-ol iodide
PubChem CID146627803
Molecular FormulaC7H14INO
Molecular Weight255.10 g/mol
Exact Mass255.01
IUPAC Name1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-ol iodide
SMILESC[N+]1(C)CC=CC(O)C1.[I-]
InChIInChI=1S/C7H14NO.HI/c1-8(2)5-3-4-7(9)6-8;/h3-4,7,9H,5-6H2,1-2H3;1H/q+1;/p-1
InChIKeyRPYPTCYBUQCKHZ-UHFFFAOYSA-M
XLogP-3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 5-3.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-3-ol iodide?
The IUPAC name of 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-ol iodide (CID 146627803) is 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-ol iodide.
What is the SMILES notation for 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-ol iodide?
The canonical SMILES for 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-ol iodide is C[N+]1(C)CC=CC(O)C1.[I-].
What is the InChIKey of 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-ol iodide?
The InChIKey is RPYPTCYBUQCKHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14NO.HI/c1-8(2)5-3-4-7(9)6-8;/h3-4,7,9H,5-6H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-ol iodide?
1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-ol iodide has a molecular weight of 255.10 g/mol, XLogP of -3.00, 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-3-ol iodide is sourced from PubChem (CID 146627803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).