5-pentyl-2,3-dihydropyridine

C10H17N — CID 70353357

IUPAC5-pentyl-2,3-dihydropyridine
SMILESCCCCCC1=CCCN=C1
InChIInChI=1S/C10H17N/c1-2-3-4-6-10-7-5-8-11-9-10/h7,9H,2-6,8H2,1H3
InChIKeyMYHLFDAHQJOGOY-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds4

About 5-pentyl-2,3-dihydropyridine

5-pentyl-2,3-dihydropyridine (PubChem CID 70353357) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-pentyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-pentyl-2,3-dihydropyridine
PubChem CID70353357
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-pentyl-2,3-dihydropyridine
SMILESCCCCCC1=CCCN=C1
InChIInChI=1S/C10H17N/c1-2-3-4-6-10-7-5-8-11-9-10/h7,9H,2-6,8H2,1H3
InChIKeyMYHLFDAHQJOGOY-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2,3-dihydropyridine?
The IUPAC name of 5-pentyl-2,3-dihydropyridine (CID 70353357) is 5-pentyl-2,3-dihydropyridine.
What is the SMILES notation for 5-pentyl-2,3-dihydropyridine?
The canonical SMILES for 5-pentyl-2,3-dihydropyridine is CCCCCC1=CCCN=C1.
What is the InChIKey of 5-pentyl-2,3-dihydropyridine?
The InChIKey is MYHLFDAHQJOGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-4-6-10-7-5-8-11-9-10/h7,9H,2-6,8H2,1H3.
What are the key properties of 5-pentyl-2,3-dihydropyridine?
5-pentyl-2,3-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2,3-dihydropyridine is sourced from PubChem (CID 70353357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).