2-butyl-2,3-dihydropyridine

C9H15N — CID 67259288

IUPAC2-butyl-2,3-dihydropyridine
SMILESCCCCC1CC=CC=N1
InChIInChI=1S/C9H15N/c1-2-3-6-9-7-4-5-8-10-9/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyLJCXIKYUXDOPHF-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds3

About 2-butyl-2,3-dihydropyridine

2-butyl-2,3-dihydropyridine (PubChem CID 67259288) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-butyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-butyl-2,3-dihydropyridine
PubChem CID67259288
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-butyl-2,3-dihydropyridine
SMILESCCCCC1CC=CC=N1
InChIInChI=1S/C9H15N/c1-2-3-6-9-7-4-5-8-10-9/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyLJCXIKYUXDOPHF-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2,3-dihydropyridine?
The IUPAC name of 2-butyl-2,3-dihydropyridine (CID 67259288) is 2-butyl-2,3-dihydropyridine.
What is the SMILES notation for 2-butyl-2,3-dihydropyridine?
The canonical SMILES for 2-butyl-2,3-dihydropyridine is CCCCC1CC=CC=N1.
What is the InChIKey of 2-butyl-2,3-dihydropyridine?
The InChIKey is LJCXIKYUXDOPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-6-9-7-4-5-8-10-9/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 2-butyl-2,3-dihydropyridine?
2-butyl-2,3-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,3-dihydropyridine is sourced from PubChem (CID 67259288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).