1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide

C9H16IN — CID 3056866

IUPAC1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide
SMILESC=CC[N+]1(C)CC=CCC1.[I-]
InChIInChI=1S/C9H16N.HI/c1-3-7-10(2)8-5-4-6-9-10;/h3-5H,1,6-9H2,2H3;1H/q+1;/p-1
InChIKeyJPOSBCKXAIPNMJ-UHFFFAOYSA-M
MW265.14 g/mol
LogP-1.42
Rot. Bonds2

About 1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide

1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide (PubChem CID 3056866) has the molecular formula C9H16IN and a molecular weight of 265.14 g/mol. Its IUPAC name is 1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide.

Molecular Properties

Compound Name1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide
PubChem CID3056866
Molecular FormulaC9H16IN
Molecular Weight265.14 g/mol
Exact Mass265.03
IUPAC Name1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide
SMILESC=CC[N+]1(C)CC=CCC1.[I-]
InChIInChI=1S/C9H16N.HI/c1-3-7-10(2)8-5-4-6-9-10;/h3-5H,1,6-9H2,2H3;1H/q+1;/p-1
InChIKeyJPOSBCKXAIPNMJ-UHFFFAOYSA-M
XLogP-1.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 5-1.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

1-Ethyl-1,2,3,6-tetrahydropyridine
CID 247451
1-Methyl-1,2,3,6-tetrahydropyridine
CID 69666
1-Methyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 2724681
1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
1-Propyl-1,2,3,6-tetrahydropyridine
CID 357826
Pyridine, 1,2,5,6-tetrahydro-1-allyl-, hydrobromide
CID 3056837
(r,s)-1,6-Dimethyl-1,2,3,6-tetrahydro-pyridine
CID 641109
Diethyl-2,7-octadienylamine
CID 547134
Pyridine, 1,2,5,6-tetrahydro-1,2-dimethyl-
CID 565859
(2E)-N,N-Diethyl-2,7-octadien-1-amine
CID 5365246
1,3-dimethyl-3,6-dihydro-2H-pyridine
CID 12437849
2-Diethylaminomethylphenyllithium
CID 21399648

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide?
The IUPAC name of 1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide (CID 3056866) is 1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide.
What is the SMILES notation for 1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide?
The canonical SMILES for 1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide is C=CC[N+]1(C)CC=CCC1.[I-].
What is the InChIKey of 1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide?
The InChIKey is JPOSBCKXAIPNMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16N.HI/c1-3-7-10(2)8-5-4-6-9-10;/h3-5H,1,6-9H2,2H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide?
1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide has a molecular weight of 265.14 g/mol, XLogP of -1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium iodide is sourced from PubChem (CID 3056866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).