4-methyl-2-propan-2-yloxy-1,2-dihydropyridine

C9H15NO — CID 171496771

IUPAC4-methyl-2-propan-2-yloxy-1,2-dihydropyridine
SMILESCC1=CC(OC(C)C)NC=C1
InChIInChI=1S/C9H15NO/c1-7(2)11-9-6-8(3)4-5-10-9/h4-7,9-10H,1-3H3
InChIKeyLNWRTMZNYLEXTR-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.80
Rot. Bonds2

About 4-methyl-2-propan-2-yloxy-1,2-dihydropyridine

4-methyl-2-propan-2-yloxy-1,2-dihydropyridine (PubChem CID 171496771) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yloxy-1,2-dihydropyridine.

Molecular Properties

Compound Name4-methyl-2-propan-2-yloxy-1,2-dihydropyridine
PubChem CID171496771
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-methyl-2-propan-2-yloxy-1,2-dihydropyridine
SMILESCC1=CC(OC(C)C)NC=C1
InChIInChI=1S/C9H15NO/c1-7(2)11-9-6-8(3)4-5-10-9/h4-7,9-10H,1-3H3
InChIKeyLNWRTMZNYLEXTR-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yloxy-1,2-dihydropyridine?
The IUPAC name of 4-methyl-2-propan-2-yloxy-1,2-dihydropyridine (CID 171496771) is 4-methyl-2-propan-2-yloxy-1,2-dihydropyridine.
What is the SMILES notation for 4-methyl-2-propan-2-yloxy-1,2-dihydropyridine?
The canonical SMILES for 4-methyl-2-propan-2-yloxy-1,2-dihydropyridine is CC1=CC(OC(C)C)NC=C1.
What is the InChIKey of 4-methyl-2-propan-2-yloxy-1,2-dihydropyridine?
The InChIKey is LNWRTMZNYLEXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)11-9-6-8(3)4-5-10-9/h4-7,9-10H,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yloxy-1,2-dihydropyridine?
4-methyl-2-propan-2-yloxy-1,2-dihydropyridine has a molecular weight of 153.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yloxy-1,2-dihydropyridine is sourced from PubChem (CID 171496771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).