(2S)-2-ethenyl-2-methyl-3H-pyridine

C8H11N — CID 173471954

IUPAC(2S)-2-ethenyl-2-methyl-3H-pyridine
SMILESC=C[C@]1(C)CC=CC=N1
InChIInChI=1S/C8H11N/c1-3-8(2)6-4-5-7-9-8/h3-5,7H,1,6H2,2H3/t8-/m1/s1
InChIKeyQMNICDREHDAGAV-MRVPVSSYSA-N
MW121.18 g/mol
LogP1.96
Rot. Bonds1

About (2S)-2-ethenyl-2-methyl-3H-pyridine

(2S)-2-ethenyl-2-methyl-3H-pyridine (PubChem CID 173471954) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (2S)-2-ethenyl-2-methyl-3H-pyridine.

Molecular Properties

Compound Name(2S)-2-ethenyl-2-methyl-3H-pyridine
PubChem CID173471954
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(2S)-2-ethenyl-2-methyl-3H-pyridine
SMILESC=C[C@]1(C)CC=CC=N1
InChIInChI=1S/C8H11N/c1-3-8(2)6-4-5-7-9-8/h3-5,7H,1,6H2,2H3/t8-/m1/s1
InChIKeyQMNICDREHDAGAV-MRVPVSSYSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenyl-2-methyl-3H-pyridine?
The IUPAC name of (2S)-2-ethenyl-2-methyl-3H-pyridine (CID 173471954) is (2S)-2-ethenyl-2-methyl-3H-pyridine.
What is the SMILES notation for (2S)-2-ethenyl-2-methyl-3H-pyridine?
The canonical SMILES for (2S)-2-ethenyl-2-methyl-3H-pyridine is C=C[C@]1(C)CC=CC=N1.
What is the InChIKey of (2S)-2-ethenyl-2-methyl-3H-pyridine?
The InChIKey is QMNICDREHDAGAV-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-8(2)6-4-5-7-9-8/h3-5,7H,1,6H2,2H3/t8-/m1/s1.
What are the key properties of (2S)-2-ethenyl-2-methyl-3H-pyridine?
(2S)-2-ethenyl-2-methyl-3H-pyridine has a molecular weight of 121.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-2-methyl-3H-pyridine is sourced from PubChem (CID 173471954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).