(2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine

C8H13N — CID 134862195

IUPAC(2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine
SMILESC=C[C@@H]1CCCC(C)=N1
InChIInChI=1S/C8H13N/c1-3-8-6-4-5-7(2)9-8/h3,8H,1,4-6H2,2H3/t8-/m1/s1
InChIKeySUWJQCJPSSEYMH-MRVPVSSYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds1

About (2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine

(2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 134862195) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name(2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine
PubChem CID134862195
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine
SMILESC=C[C@@H]1CCCC(C)=N1
InChIInChI=1S/C8H13N/c1-3-8-6-4-5-7(2)9-8/h3,8H,1,4-6H2,2H3/t8-/m1/s1
InChIKeySUWJQCJPSSEYMH-MRVPVSSYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2'-Propenyl)-delta-1-piperideine
CID 157009993
2-Vinyl-2,3,4,5-tetrahydropyridine
CID 67162088
7-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepine
CID 70256777
2-(3-Butenyl)-6-methyl-2,3,4,5-tetrahydropyridine
CID 129798131
2H-Pyrrole, 3,4-dihydro-5-(4-pentenyl)-
CID 15105256
5-but-3-enyl-3,4-dihydro-2H-pyrrole
CID 11571799
6-(4-Pentenyl)-2,3,4,5-tetrahydropyridine
CID 15731522
5-hex-5-enyl-2-pentyl-3,4-dihydro-2H-pyrrole
CID 20368617
Allyl-(1-methyl-pent-4-enylidene)-amine
CID 22036666
2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole
CID 70627872
5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 102498818
N-cyclohexylpent-1-en-3-imine
CID 123703101

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of (2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine (CID 134862195) is (2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for (2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for (2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine is C=C[C@@H]1CCCC(C)=N1.
What is the InChIKey of (2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is SUWJQCJPSSEYMH-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-6-4-5-7(2)9-8/h3,8H,1,4-6H2,2H3/t8-/m1/s1.
What are the key properties of (2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine?
(2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 134862195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).