6-methoxy-5-propan-2-yl-1,2-dihydropyridine

C9H15NO — CID 89077146

IUPAC6-methoxy-5-propan-2-yl-1,2-dihydropyridine
SMILESCOC1=C(C(C)C)C=CCN1
InChIInChI=1S/C9H15NO/c1-7(2)8-5-4-6-10-9(8)11-3/h4-5,7,10H,6H2,1-3H3
InChIKeyMRFLDJAANYIMTR-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.66
Rot. Bonds2

About 6-methoxy-5-propan-2-yl-1,2-dihydropyridine

6-methoxy-5-propan-2-yl-1,2-dihydropyridine (PubChem CID 89077146) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-methoxy-5-propan-2-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-methoxy-5-propan-2-yl-1,2-dihydropyridine
PubChem CID89077146
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-methoxy-5-propan-2-yl-1,2-dihydropyridine
SMILESCOC1=C(C(C)C)C=CCN1
InChIInChI=1S/C9H15NO/c1-7(2)8-5-4-6-10-9(8)11-3/h4-5,7,10H,6H2,1-3H3
InChIKeyMRFLDJAANYIMTR-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-propan-2-yl-1,2-dihydropyridine?
The IUPAC name of 6-methoxy-5-propan-2-yl-1,2-dihydropyridine (CID 89077146) is 6-methoxy-5-propan-2-yl-1,2-dihydropyridine.
What is the SMILES notation for 6-methoxy-5-propan-2-yl-1,2-dihydropyridine?
The canonical SMILES for 6-methoxy-5-propan-2-yl-1,2-dihydropyridine is COC1=C(C(C)C)C=CCN1.
What is the InChIKey of 6-methoxy-5-propan-2-yl-1,2-dihydropyridine?
The InChIKey is MRFLDJAANYIMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)8-5-4-6-10-9(8)11-3/h4-5,7,10H,6H2,1-3H3.
What are the key properties of 6-methoxy-5-propan-2-yl-1,2-dihydropyridine?
6-methoxy-5-propan-2-yl-1,2-dihydropyridine has a molecular weight of 153.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-propan-2-yl-1,2-dihydropyridine is sourced from PubChem (CID 89077146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).