4-prop-2-enyl-1,2,3,6-tetrahydropyridine

C8H13N — CID 70087647

IUPAC4-prop-2-enyl-1,2,3,6-tetrahydropyridine
SMILESC=CCC1=CCNCC1
InChIInChI=1S/C8H13N/c1-2-3-8-4-6-9-7-5-8/h2,4,9H,1,3,5-7H2
InChIKeyCXRWASPVWADGFI-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.48
Rot. Bonds2

About 4-prop-2-enyl-1,2,3,6-tetrahydropyridine

4-prop-2-enyl-1,2,3,6-tetrahydropyridine (PubChem CID 70087647) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 4-prop-2-enyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-prop-2-enyl-1,2,3,6-tetrahydropyridine
PubChem CID70087647
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name4-prop-2-enyl-1,2,3,6-tetrahydropyridine
SMILESC=CCC1=CCNCC1
InChIInChI=1S/C8H13N/c1-2-3-8-4-6-9-7-5-8/h2,4,9H,1,3,5-7H2
InChIKeyCXRWASPVWADGFI-UHFFFAOYSA-N
XLogP1.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
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 4-prop-2-enyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-prop-2-enyl-1,2,3,6-tetrahydropyridine (CID 70087647) is 4-prop-2-enyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-prop-2-enyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-prop-2-enyl-1,2,3,6-tetrahydropyridine is C=CCC1=CCNCC1.
What is the InChIKey of 4-prop-2-enyl-1,2,3,6-tetrahydropyridine?
The InChIKey is CXRWASPVWADGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-3-8-4-6-9-7-5-8/h2,4,9H,1,3,5-7H2.
What are the key properties of 4-prop-2-enyl-1,2,3,6-tetrahydropyridine?
4-prop-2-enyl-1,2,3,6-tetrahydropyridine has a molecular weight of 123.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 70087647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).