6-prop-2-enyl-2,3,4,5-tetrahydropyridine

C8H13N — CID 157009993

IUPAC6-prop-2-enyl-2,3,4,5-tetrahydropyridine
SMILESC=CCC1=NCCCC1
InChIInChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h2H,1,3-7H2
InChIKeyXWYDITRQXWMULZ-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds2

About 6-prop-2-enyl-2,3,4,5-tetrahydropyridine

6-prop-2-enyl-2,3,4,5-tetrahydropyridine (PubChem CID 157009993) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 6-prop-2-enyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-prop-2-enyl-2,3,4,5-tetrahydropyridine
PubChem CID157009993
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name6-prop-2-enyl-2,3,4,5-tetrahydropyridine
SMILESC=CCC1=NCCCC1
InChIInChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h2H,1,3-7H2
InChIKeyXWYDITRQXWMULZ-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-(1-Propenyl)-delta1-piperideine
CID 56972723
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
7-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepine
CID 70256777
6-Prop-1-en-2-yl-2,3,4,5-tetrahydropyridine
CID 135085650
2-(3-Butenyl)-6-methyl-2,3,4,5-tetrahydropyridine
CID 129798131
(2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine
CID 134862195
7-ethenyl-3,4,5,6-tetrahydro-2H-azepine
CID 134988764
2H-Pyrrole, 5-(5-hexenyl)-3,4-dihydro-
CID 10012094
2H-Pyrrole, 3,4-dihydro-5-(4-pentenyl)-
CID 15105256
2H-Pyrrole, 5-(6-heptenyl)-3,4-dihydro-
CID 15105257
2H-Pyrrole, 3,4-dihydro-5-(8-nonenyl)-
CID 15105258

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-prop-2-enyl-2,3,4,5-tetrahydropyridine (CID 157009993) is 6-prop-2-enyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-prop-2-enyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-prop-2-enyl-2,3,4,5-tetrahydropyridine is C=CCC1=NCCCC1.
What is the InChIKey of 6-prop-2-enyl-2,3,4,5-tetrahydropyridine?
The InChIKey is XWYDITRQXWMULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h2H,1,3-7H2.
What are the key properties of 6-prop-2-enyl-2,3,4,5-tetrahydropyridine?
6-prop-2-enyl-2,3,4,5-tetrahydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 157009993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).