1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one

C9H15NO — CID 45095922

IUPAC1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one
SMILESCC(C)C1=CC(=O)CN(C)C1
InChIInChI=1S/C9H15NO/c1-7(2)8-4-9(11)6-10(3)5-8/h4,7H,5-6H2,1-3H3
InChIKeyJECOMJACNOHIMA-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.08
Rot. Bonds1

About 1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one

1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one (PubChem CID 45095922) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one
PubChem CID45095922
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one
SMILESCC(C)C1=CC(=O)CN(C)C1
InChIInChI=1S/C9H15NO/c1-7(2)8-4-9(11)6-10(3)5-8/h4,7H,5-6H2,1-3H3
InChIKeyJECOMJACNOHIMA-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 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 ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one?
The IUPAC name of 1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one (CID 45095922) is 1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one is CC(C)C1=CC(=O)CN(C)C1.
What is the InChIKey of 1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one?
The InChIKey is JECOMJACNOHIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)8-4-9(11)6-10(3)5-8/h4,7H,5-6H2,1-3H3.
What are the key properties of 1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one?
1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 45095922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).