3-propyl-3,4-dihydropyridine

C8H13N — CID 142008530

IUPAC3-propyl-3,4-dihydropyridine
SMILESCCCC1C=NC=CC1
InChIInChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h3,6-8H,2,4-5H2,1H3
InChIKeyLUYLRPCCWQDTBO-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.39
Rot. Bonds2

About 3-propyl-3,4-dihydropyridine

3-propyl-3,4-dihydropyridine (PubChem CID 142008530) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-propyl-3,4-dihydropyridine.

Molecular Properties

Compound Name3-propyl-3,4-dihydropyridine
PubChem CID142008530
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-propyl-3,4-dihydropyridine
SMILESCCCC1C=NC=CC1
InChIInChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h3,6-8H,2,4-5H2,1H3
InChIKeyLUYLRPCCWQDTBO-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-3,4-dihydropyridine?
The IUPAC name of 3-propyl-3,4-dihydropyridine (CID 142008530) is 3-propyl-3,4-dihydropyridine.
What is the SMILES notation for 3-propyl-3,4-dihydropyridine?
The canonical SMILES for 3-propyl-3,4-dihydropyridine is CCCC1C=NC=CC1.
What is the InChIKey of 3-propyl-3,4-dihydropyridine?
The InChIKey is LUYLRPCCWQDTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h3,6-8H,2,4-5H2,1H3.
What are the key properties of 3-propyl-3,4-dihydropyridine?
3-propyl-3,4-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3,4-dihydropyridine is sourced from PubChem (CID 142008530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).