5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine

C9H13N — CID 130621986

IUPAC5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine
SMILESC#CCN1CCC=C(C)C1
InChIInChI=1S/C9H13N/c1-3-6-10-7-4-5-9(2)8-10/h1,5H,4,6-8H2,2H3
InChIKeyWUZPLGSRYGFHTO-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.27
Rot. Bonds1

About 5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine

5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine (PubChem CID 130621986) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine
PubChem CID130621986
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine
SMILESC#CCN1CCC=C(C)C1
InChIInChI=1S/C9H13N/c1-3-6-10-7-4-5-9(2)8-10/h1,5H,4,6-8H2,2H3
InChIKeyWUZPLGSRYGFHTO-UHFFFAOYSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyl-1-prop-2-ynyl-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 5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine (CID 130621986) is 5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine is C#CCN1CCC=C(C)C1.
What is the InChIKey of 5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine?
The InChIKey is WUZPLGSRYGFHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-6-10-7-4-5-9(2)8-10/h1,5H,4,6-8H2,2H3.
What are the key properties of 5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine?
5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine has a molecular weight of 135.21 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-prop-2-ynyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130621986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).