3-prop-1-en-2-yl-3,4-dihydropyridine

C8H11N — CID 89129177

IUPAC3-prop-1-en-2-yl-3,4-dihydropyridine
SMILESC=C(C)C1C=NC=CC1
InChIInChI=1S/C8H11N/c1-7(2)8-4-3-5-9-6-8/h3,5-6,8H,1,4H2,2H3
InChIKeyBXDUYALOIMCEFV-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.17
Rot. Bonds1

About 3-prop-1-en-2-yl-3,4-dihydropyridine

3-prop-1-en-2-yl-3,4-dihydropyridine (PubChem CID 89129177) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name3-prop-1-en-2-yl-3,4-dihydropyridine
PubChem CID89129177
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3-prop-1-en-2-yl-3,4-dihydropyridine
SMILESC=C(C)C1C=NC=CC1
InChIInChI=1S/C8H11N/c1-7(2)8-4-3-5-9-6-8/h3,5-6,8H,1,4H2,2H3
InChIKeyBXDUYALOIMCEFV-UHFFFAOYSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.17
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-1-en-2-yl-3,4-dihydropyridine?
The IUPAC name of 3-prop-1-en-2-yl-3,4-dihydropyridine (CID 89129177) is 3-prop-1-en-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 3-prop-1-en-2-yl-3,4-dihydropyridine?
The canonical SMILES for 3-prop-1-en-2-yl-3,4-dihydropyridine is C=C(C)C1C=NC=CC1.
What is the InChIKey of 3-prop-1-en-2-yl-3,4-dihydropyridine?
The InChIKey is BXDUYALOIMCEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-7(2)8-4-3-5-9-6-8/h3,5-6,8H,1,4H2,2H3.
What are the key properties of 3-prop-1-en-2-yl-3,4-dihydropyridine?
3-prop-1-en-2-yl-3,4-dihydropyridine has a molecular weight of 121.18 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 89129177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).