6-methoxy-5-propan-2-yl-3,4-dihydropyridine

C9H15NO — CID 171832855

IUPAC6-methoxy-5-propan-2-yl-3,4-dihydropyridine
SMILESCOC1=C(C(C)C)CCC=N1
InChIInChI=1S/C9H15NO/c1-7(2)8-5-4-6-10-9(8)11-3/h6-7H,4-5H2,1-3H3
InChIKeyYONZPSKJHMWPAJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.37
Rot. Bonds2

About 6-methoxy-5-propan-2-yl-3,4-dihydropyridine

6-methoxy-5-propan-2-yl-3,4-dihydropyridine (PubChem CID 171832855) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-methoxy-5-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-methoxy-5-propan-2-yl-3,4-dihydropyridine
PubChem CID171832855
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-methoxy-5-propan-2-yl-3,4-dihydropyridine
SMILESCOC1=C(C(C)C)CCC=N1
InChIInChI=1S/C9H15NO/c1-7(2)8-5-4-6-10-9(8)11-3/h6-7H,4-5H2,1-3H3
InChIKeyYONZPSKJHMWPAJ-UHFFFAOYSA-N
XLogP2.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 89340727
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4,5-di(propan-2-yl)-3H-pyrrole;ethane
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1,2-di(propan-2-yl)cyclohexa-1,3-diene
CID 22218399
(5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine
CID 169061691
[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite
CID 146622902
3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 145369202
2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
CID 70666053
5-tert-butyl-4-propan-2-yl-3H-pyrrole
CID 134237221
2-methoxy-4-propan-2-yl-1,3-thiazole
CID 18736803
triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane
CID 13159355
2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene
CID 153335086

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 6-methoxy-5-propan-2-yl-3,4-dihydropyridine (CID 171832855) is 6-methoxy-5-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 6-methoxy-5-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 6-methoxy-5-propan-2-yl-3,4-dihydropyridine is COC1=C(C(C)C)CCC=N1.
What is the InChIKey of 6-methoxy-5-propan-2-yl-3,4-dihydropyridine?
The InChIKey is YONZPSKJHMWPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)8-5-4-6-10-9(8)11-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 6-methoxy-5-propan-2-yl-3,4-dihydropyridine?
6-methoxy-5-propan-2-yl-3,4-dihydropyridine has a molecular weight of 153.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 171832855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).