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

C8H13N — CID 173283580

IUPAC3-prop-2-enyl-2,3,4,5-tetrahydropyridine
SMILESC=CCC1CCC=NC1
InChIInChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h2,6,8H,1,3-5,7H2
InChIKeySYBDUJJQAWRJQF-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.04
Rot. Bonds2

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

3-prop-2-enyl-2,3,4,5-tetrahydropyridine (PubChem CID 173283580) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-prop-2-enyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name3-prop-2-enyl-2,3,4,5-tetrahydropyridine
PubChem CID173283580
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-prop-2-enyl-2,3,4,5-tetrahydropyridine
SMILESC=CCC1CCC=NC1
InChIInChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h2,6,8H,1,3-5,7H2
InChIKeySYBDUJJQAWRJQF-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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 3-prop-2-enyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 3-prop-2-enyl-2,3,4,5-tetrahydropyridine (CID 173283580) is 3-prop-2-enyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 3-prop-2-enyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 3-prop-2-enyl-2,3,4,5-tetrahydropyridine is C=CCC1CCC=NC1.
What is the InChIKey of 3-prop-2-enyl-2,3,4,5-tetrahydropyridine?
The InChIKey is SYBDUJJQAWRJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h2,6,8H,1,3-5,7H2.
What are the key properties of 3-prop-2-enyl-2,3,4,5-tetrahydropyridine?
3-prop-2-enyl-2,3,4,5-tetrahydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 173283580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).