2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one

C8H13NO — CID 57004777

IUPAC2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
SMILESCC(C)C1N=CCCC1=O
InChIInChI=1S/C8H13NO/c1-6(2)8-7(10)4-3-5-9-8/h5-6,8H,3-4H2,1-2H3
InChIKeyJDTZKLVLPJMJJV-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.44
Rot. Bonds1

About 2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one

2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one (PubChem CID 57004777) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one.

Molecular Properties

Compound Name2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
PubChem CID57004777
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
SMILESCC(C)C1N=CCCC1=O
InChIInChI=1S/C8H13NO/c1-6(2)8-7(10)4-3-5-9-8/h5-6,8H,3-4H2,1-2H3
InChIKeyJDTZKLVLPJMJJV-UHFFFAOYSA-N
XLogP1.44
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 54234304
2-ethyl-4,5-dihydro-2H-pyridin-3-one
CID 57073546
2-tert-butyl-4,5-dihydro-2H-pyridin-3-one
CID 57256695
6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
CID 58448513
1-[(2S,4R)-4-methyl-3,4-dihydro-2H-pyrrol-2-yl]ethanone
CID 89028760
5-methyl-4,5-dihydro-2H-pyridin-3-one
CID 91467008
2,4-Dimethyl-2,3,4,6-tetrahydroazepin-5-one
CID 123892575
2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 130028070
5-Cyclohexylimino-2,6-dimethylheptan-3-one
CID 170678555
(2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 172560678
(2S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 176136934
(2R)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 176136939

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one?
The IUPAC name of 2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one (CID 57004777) is 2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one.
What is the SMILES notation for 2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one?
The canonical SMILES for 2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one is CC(C)C1N=CCCC1=O.
What is the InChIKey of 2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one?
The InChIKey is JDTZKLVLPJMJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)8-7(10)4-3-5-9-8/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one?
2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one has a molecular weight of 139.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one is sourced from PubChem (CID 57004777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).