4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one

C8H13NO — CID 55299848

IUPAC4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one
SMILESCC(C)C1C=CNC(=O)C1
InChIInChI=1S/C8H13NO/c1-6(2)7-3-4-9-8(10)5-7/h3-4,6-7H,5H2,1-2H3,(H,9,10)
InChIKeyJFOINNTZXHEWSE-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.29
Rot. Bonds1

About 4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one

4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one (PubChem CID 55299848) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one
PubChem CID55299848
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one
SMILESCC(C)C1C=CNC(=O)C1
InChIInChI=1S/C8H13NO/c1-6(2)7-3-4-9-8(10)5-7/h3-4,6-7H,5H2,1-2H3,(H,9,10)
InChIKeyJFOINNTZXHEWSE-UHFFFAOYSA-N
XLogP1.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one (CID 55299848) is 4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one is CC(C)C1C=CNC(=O)C1.
What is the InChIKey of 4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is JFOINNTZXHEWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)7-3-4-9-8(10)5-7/h3-4,6-7H,5H2,1-2H3,(H,9,10).
What are the key properties of 4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one?
4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 55299848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).