3-prop-2-enyl-2,3-dihydropyridine

C8H11N — CID 129171622

IUPAC3-prop-2-enyl-2,3-dihydropyridine
SMILESC=CCC1C=CC=NC1
InChIInChI=1S/C8H11N/c1-2-4-8-5-3-6-9-7-8/h2-3,5-6,8H,1,4,7H2
InChIKeyCZDZBLNPOMITAG-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.82
Rot. Bonds2

About 3-prop-2-enyl-2,3-dihydropyridine

3-prop-2-enyl-2,3-dihydropyridine (PubChem CID 129171622) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-prop-2-enyl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-prop-2-enyl-2,3-dihydropyridine
PubChem CID129171622
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3-prop-2-enyl-2,3-dihydropyridine
SMILESC=CCC1C=CC=NC1
InChIInChI=1S/C8H11N/c1-2-4-8-5-3-6-9-7-8/h2-3,5-6,8H,1,4,7H2
InChIKeyCZDZBLNPOMITAG-UHFFFAOYSA-N
XLogP1.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.82
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-dihydropyridine?
The IUPAC name of 3-prop-2-enyl-2,3-dihydropyridine (CID 129171622) is 3-prop-2-enyl-2,3-dihydropyridine.
What is the SMILES notation for 3-prop-2-enyl-2,3-dihydropyridine?
The canonical SMILES for 3-prop-2-enyl-2,3-dihydropyridine is C=CCC1C=CC=NC1.
What is the InChIKey of 3-prop-2-enyl-2,3-dihydropyridine?
The InChIKey is CZDZBLNPOMITAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-4-8-5-3-6-9-7-8/h2-3,5-6,8H,1,4,7H2.
What are the key properties of 3-prop-2-enyl-2,3-dihydropyridine?
3-prop-2-enyl-2,3-dihydropyridine has a molecular weight of 121.18 g/mol, XLogP of 1.82, 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-dihydropyridine is sourced from PubChem (CID 129171622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).