3-propan-2-yl-1,2-dihydropyridine

C8H13N — CID 20641834

IUPAC3-propan-2-yl-1,2-dihydropyridine
SMILESCC(C)C1=CC=CNC1
InChIInChI=1S/C8H13N/c1-7(2)8-4-3-5-9-6-8/h3-5,7,9H,6H2,1-2H3
InChIKeyLPYKZKJKFJVEIR-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.69
Rot. Bonds1

About 3-propan-2-yl-1,2-dihydropyridine

3-propan-2-yl-1,2-dihydropyridine (PubChem CID 20641834) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-propan-2-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-propan-2-yl-1,2-dihydropyridine
PubChem CID20641834
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-propan-2-yl-1,2-dihydropyridine
SMILESCC(C)C1=CC=CNC1
InChIInChI=1S/C8H13N/c1-7(2)8-4-3-5-9-6-8/h3-5,7,9H,6H2,1-2H3
InChIKeyLPYKZKJKFJVEIR-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2-dihydropyridine?
The IUPAC name of 3-propan-2-yl-1,2-dihydropyridine (CID 20641834) is 3-propan-2-yl-1,2-dihydropyridine.
What is the SMILES notation for 3-propan-2-yl-1,2-dihydropyridine?
The canonical SMILES for 3-propan-2-yl-1,2-dihydropyridine is CC(C)C1=CC=CNC1.
What is the InChIKey of 3-propan-2-yl-1,2-dihydropyridine?
The InChIKey is LPYKZKJKFJVEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)8-4-3-5-9-6-8/h3-5,7,9H,6H2,1-2H3.
What are the key properties of 3-propan-2-yl-1,2-dihydropyridine?
3-propan-2-yl-1,2-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2-dihydropyridine is sourced from PubChem (CID 20641834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).