2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine

C11H17N — CID 166735850

IUPAC2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine
SMILESCCC1C=C(C)C=NC1C1CC1
InChIInChI=1S/C11H17N/c1-3-9-6-8(2)7-12-11(9)10-4-5-10/h6-7,9-11H,3-5H2,1-2H3
InChIKeyWGHHSTFTGGVHIT-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds2

About 2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine

2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine (PubChem CID 166735850) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine
PubChem CID166735850
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine
SMILESCCC1C=C(C)C=NC1C1CC1
InChIInChI=1S/C11H17N/c1-3-9-6-8(2)7-12-11(9)10-4-5-10/h6-7,9-11H,3-5H2,1-2H3
InChIKeyWGHHSTFTGGVHIT-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine?
The IUPAC name of 2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine (CID 166735850) is 2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine.
What is the SMILES notation for 2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine?
The canonical SMILES for 2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine is CCC1C=C(C)C=NC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine?
The InChIKey is WGHHSTFTGGVHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-9-6-8(2)7-12-11(9)10-4-5-10/h6-7,9-11H,3-5H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine?
2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine has a molecular weight of 163.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine is sourced from PubChem (CID 166735850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).