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

C8H13NO — CID 58448513

IUPAC6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
SMILESCC(C)C1=NCC(=O)CC1
InChIInChI=1S/C8H13NO/c1-6(2)8-4-3-7(10)5-9-8/h6H,3-5H2,1-2H3
InChIKeyPEMNARGLOFLTAJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.45
Rot. Bonds1

About 6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one

6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one (PubChem CID 58448513) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one.

Molecular Properties

Compound Name6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
PubChem CID58448513
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
SMILESCC(C)C1=NCC(=O)CC1
InChIInChI=1S/C8H13NO/c1-6(2)8-4-3-7(10)5-9-8/h6H,3-5H2,1-2H3
InChIKeyPEMNARGLOFLTAJ-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
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2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
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CID 57088225
2-Methyl-1-(2,3,4,5-tetrahydropyridin-6-yl)propan-1-one
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CID 57329291
5-Propan-2-yl-2,4-dihydropyrrol-3-one
CID 57891926
3-Methyl-1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one?
The IUPAC name of 6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one (CID 58448513) is 6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one.
What is the SMILES notation for 6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one?
The canonical SMILES for 6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one is CC(C)C1=NCC(=O)CC1.
What is the InChIKey of 6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one?
The InChIKey is PEMNARGLOFLTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)8-4-3-7(10)5-9-8/h6H,3-5H2,1-2H3.
What are the key properties of 6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one?
6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one has a molecular weight of 139.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one is sourced from PubChem (CID 58448513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).