5-propyl-2,3-dihydropyridine

C8H13N — CID 67965940

IUPAC5-propyl-2,3-dihydropyridine
SMILESCCCC1=CCCN=C1
InChIInChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h5,7H,2-4,6H2,1H3
InChIKeyBJASKLOSFVQROV-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds2

About 5-propyl-2,3-dihydropyridine

5-propyl-2,3-dihydropyridine (PubChem CID 67965940) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-propyl-2,3-dihydropyridine
PubChem CID67965940
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-propyl-2,3-dihydropyridine
SMILESCCCC1=CCCN=C1
InChIInChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h5,7H,2-4,6H2,1H3
InChIKeyBJASKLOSFVQROV-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 5-propyl-2,3-dihydropyridine?
The IUPAC name of 5-propyl-2,3-dihydropyridine (CID 67965940) is 5-propyl-2,3-dihydropyridine.
What is the SMILES notation for 5-propyl-2,3-dihydropyridine?
The canonical SMILES for 5-propyl-2,3-dihydropyridine is CCCC1=CCCN=C1.
What is the InChIKey of 5-propyl-2,3-dihydropyridine?
The InChIKey is BJASKLOSFVQROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h5,7H,2-4,6H2,1H3.
What are the key properties of 5-propyl-2,3-dihydropyridine?
5-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 5-propyl-2,3-dihydropyridine is sourced from PubChem (CID 67965940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).