1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine

C9H15N — CID 54055281

IUPAC1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine
SMILESC=C(C)CN1CC=CCC1
InChIInChI=1S/C9H15N/c1-9(2)8-10-6-4-3-5-7-10/h3-4H,1,5-8H2,2H3
InChIKeyFRDJHYPGVIGIPN-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.82
Rot. Bonds2

About 1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine

1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine (PubChem CID 54055281) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine
PubChem CID54055281
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine
SMILESC=C(C)CN1CC=CCC1
InChIInChI=1S/C9H15N/c1-9(2)8-10-6-4-3-5-7-10/h3-4H,1,5-8H2,2H3
InChIKeyFRDJHYPGVIGIPN-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine (CID 54055281) is 1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine is C=C(C)CN1CC=CCC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine?
The InChIKey is FRDJHYPGVIGIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-9(2)8-10-6-4-3-5-7-10/h3-4H,1,5-8H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine?
1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine has a molecular weight of 137.23 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 1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 54055281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).