2-propyl-2,3-dihydropyridine

C8H13N — CID 68521817

IUPAC2-propyl-2,3-dihydropyridine
SMILESCCCC1CC=CC=N1
InChIInChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h3-4,7-8H,2,5-6H2,1H3
InChIKeyRPLSYHBOBGSUMJ-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds2

About 2-propyl-2,3-dihydropyridine

2-propyl-2,3-dihydropyridine (PubChem CID 68521817) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-propyl-2,3-dihydropyridine
PubChem CID68521817
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-propyl-2,3-dihydropyridine
SMILESCCCC1CC=CC=N1
InChIInChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h3-4,7-8H,2,5-6H2,1H3
InChIKeyRPLSYHBOBGSUMJ-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2,3-dihydropyridine?
The IUPAC name of 2-propyl-2,3-dihydropyridine (CID 68521817) is 2-propyl-2,3-dihydropyridine.
What is the SMILES notation for 2-propyl-2,3-dihydropyridine?
The canonical SMILES for 2-propyl-2,3-dihydropyridine is CCCC1CC=CC=N1.
What is the InChIKey of 2-propyl-2,3-dihydropyridine?
The InChIKey is RPLSYHBOBGSUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 2-propyl-2,3-dihydropyridine?
2-propyl-2,3-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2,3-dihydropyridine is sourced from PubChem (CID 68521817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).