2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one

C10H17NO — CID 66730482

IUPAC2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one
SMILESCC(C)CN1CC=CC(=O)C1C
InChIInChI=1S/C10H17NO/c1-8(2)7-11-6-4-5-10(12)9(11)3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyARELIWJQKQGYQA-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.47
Rot. Bonds2

About 2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one

2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one (PubChem CID 66730482) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one
PubChem CID66730482
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one
SMILESCC(C)CN1CC=CC(=O)C1C
InChIInChI=1S/C10H17NO/c1-8(2)7-11-6-4-5-10(12)9(11)3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyARELIWJQKQGYQA-UHFFFAOYSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one (CID 66730482) is 2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one is CC(C)CN1CC=CC(=O)C1C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one?
The InChIKey is ARELIWJQKQGYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)7-11-6-4-5-10(12)9(11)3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one?
2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one is sourced from PubChem (CID 66730482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).