5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine

C11H19NO — CID 130225088

IUPAC5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine
SMILESCCC(CC)OC1CC=C(C)C=N1
InChIInChI=1S/C11H19NO/c1-4-10(5-2)13-11-7-6-9(3)8-12-11/h6,8,10-11H,4-5,7H2,1-3H3
InChIKeyWKPSPHWAVLFBIA-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.94
Rot. Bonds4

About 5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine

5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine (PubChem CID 130225088) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine.

Molecular Properties

Compound Name5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine
PubChem CID130225088
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine
SMILESCCC(CC)OC1CC=C(C)C=N1
InChIInChI=1S/C11H19NO/c1-4-10(5-2)13-11-7-6-9(3)8-12-11/h6,8,10-11H,4-5,7H2,1-3H3
InChIKeyWKPSPHWAVLFBIA-UHFFFAOYSA-N
XLogP2.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine?
The IUPAC name of 5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine (CID 130225088) is 5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine.
What is the SMILES notation for 5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine?
The canonical SMILES for 5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine is CCC(CC)OC1CC=C(C)C=N1.
What is the InChIKey of 5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine?
The InChIKey is WKPSPHWAVLFBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-10(5-2)13-11-7-6-9(3)8-12-11/h6,8,10-11H,4-5,7H2,1-3H3.
What are the key properties of 5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine?
5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine has a molecular weight of 181.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pentan-3-yloxy-2,3-dihydropyridine is sourced from PubChem (CID 130225088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).