6-ethoxy-2,4-dimethyl-2,3-dihydropyridine

C9H15NO — CID 45090885

IUPAC6-ethoxy-2,4-dimethyl-2,3-dihydropyridine
SMILESCCOC1=NC(C)CC(C)=C1
InChIInChI=1S/C9H15NO/c1-4-11-9-6-7(2)5-8(3)10-9/h6,8H,4-5H2,1-3H3
InChIKeyGCLKIERYCVMHLE-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.16
Rot. Bonds1

About 6-ethoxy-2,4-dimethyl-2,3-dihydropyridine

6-ethoxy-2,4-dimethyl-2,3-dihydropyridine (PubChem CID 45090885) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-ethoxy-2,4-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-ethoxy-2,4-dimethyl-2,3-dihydropyridine
PubChem CID45090885
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-ethoxy-2,4-dimethyl-2,3-dihydropyridine
SMILESCCOC1=NC(C)CC(C)=C1
InChIInChI=1S/C9H15NO/c1-4-11-9-6-7(2)5-8(3)10-9/h6,8H,4-5H2,1-3H3
InChIKeyGCLKIERYCVMHLE-UHFFFAOYSA-N
XLogP2.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,4-dimethyl-2,3-dihydropyridine?
The IUPAC name of 6-ethoxy-2,4-dimethyl-2,3-dihydropyridine (CID 45090885) is 6-ethoxy-2,4-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 6-ethoxy-2,4-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 6-ethoxy-2,4-dimethyl-2,3-dihydropyridine is CCOC1=NC(C)CC(C)=C1.
What is the InChIKey of 6-ethoxy-2,4-dimethyl-2,3-dihydropyridine?
The InChIKey is GCLKIERYCVMHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-11-9-6-7(2)5-8(3)10-9/h6,8H,4-5H2,1-3H3.
What are the key properties of 6-ethoxy-2,4-dimethyl-2,3-dihydropyridine?
6-ethoxy-2,4-dimethyl-2,3-dihydropyridine has a molecular weight of 153.22 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,4-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 45090885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).