1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium

C9H16N+ — CID 58123805

IUPAC1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium
SMILESC=CCC1C[CH+]CCN1C
InChIInChI=1S/C9H16N/c1-3-6-9-7-4-5-8-10(9)2/h3-4,9H,1,5-8H2,2H3/q+1
InChIKeySQXGUDGDDYUFEM-UHFFFAOYSA-N
MW138.23 g/mol
LogP1.86
Rot. Bonds2

About 1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium

1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium (PubChem CID 58123805) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is 1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium.

Molecular Properties

Compound Name1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium
PubChem CID58123805
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Name1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium
SMILESC=CCC1C[CH+]CCN1C
InChIInChI=1S/C9H16N/c1-3-6-9-7-4-5-8-10(9)2/h3-4,9H,1,5-8H2,2H3/q+1
InChIKeySQXGUDGDDYUFEM-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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N,N-diisopropyl-10-undecenylamine
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2-Ethenyl-1-methylpiperidine
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4-Piperidinylbut-1-ene
CID 4562282
1-(1E)-1-Hepten-1-ylpiperidine
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N-allyl-2-methylpiperidine
CID 13264660
1-[(E)-non-1-enyl]piperidine
CID 13586260
1-Hex-5-enylpiperidine
CID 13839440
1-Ethyl-2-prop-2-enylpiperidine
CID 85661636
N-(1-but-1-enyl)-2-methylpiperidine
CID 129868747

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium?
The IUPAC name of 1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium (CID 58123805) is 1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium.
What is the SMILES notation for 1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium?
The canonical SMILES for 1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium is C=CCC1C[CH+]CCN1C.
What is the InChIKey of 1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium?
The InChIKey is SQXGUDGDDYUFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N/c1-3-6-9-7-4-5-8-10(9)2/h3-4,9H,1,5-8H2,2H3/q+1.
What are the key properties of 1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium?
1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium has a molecular weight of 138.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium is sourced from PubChem (CID 58123805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).