2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one

C8H13NO — CID 55286326

IUPAC2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1=C(C)C(=O)NC(C)C1
InChIInChI=1S/C8H13NO/c1-5-4-6(2)9-8(10)7(5)3/h6H,4H2,1-3H3,(H,9,10)
InChIKeyXAANDAZGZVDXSI-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds

About 2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one

2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 55286326) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID55286326
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1=C(C)C(=O)NC(C)C1
InChIInChI=1S/C8H13NO/c1-5-4-6(2)9-8(10)7(5)3/h6H,4H2,1-3H3,(H,9,10)
InChIKeyXAANDAZGZVDXSI-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Diethyl-1,5-dihydro-2H-pyrrol-2-one
CID 13867362
3,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
CID 12007567
2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide
CID 126514043
3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
CID 170011944
3,4-Difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one
CID 170015897
3-Acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one
CID 135059939
2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridine-5-carbonitrile
CID 336477
3-Ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one
CID 10678662
2,3,4-Trimethyl-1,2-dihydropyrrol-5-one
CID 13794991
4-ethyl-3,5-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 14729909
2,3,4-trimethyl-2,5-dihydro-1H-pyridin-6-one
CID 20653202
5-(Bromomethyl)-4-ethyl-3-methyl-1,5-dihydro-2H-pyrrole-2-one
CID 21789791

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one (CID 55286326) is 2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one is CC1=C(C)C(=O)NC(C)C1.
What is the InChIKey of 2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is XAANDAZGZVDXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-4-6(2)9-8(10)7(5)3/h6H,4H2,1-3H3,(H,9,10).
What are the key properties of 2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one?
2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 139.20 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 55286326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).