1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one

C11H19NO — CID 118243204

IUPAC1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one
SMILESCC(C)C1=CCN(C(C)C)C(=O)C1
InChIInChI=1S/C11H19NO/c1-8(2)10-5-6-12(9(3)4)11(13)7-10/h5,8-9H,6-7H2,1-4H3
InChIKeyMKLGXNVTJNUDEU-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds2

About 1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one

1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one (PubChem CID 118243204) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one
PubChem CID118243204
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one
SMILESCC(C)C1=CCN(C(C)C)C(=O)C1
InChIInChI=1S/C11H19NO/c1-8(2)10-5-6-12(9(3)4)11(13)7-10/h5,8-9H,6-7H2,1-4H3
InChIKeyMKLGXNVTJNUDEU-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one?
The IUPAC name of 1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one (CID 118243204) is 1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one.
What is the SMILES notation for 1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one?
The canonical SMILES for 1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one is CC(C)C1=CCN(C(C)C)C(=O)C1.
What is the InChIKey of 1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one?
The InChIKey is MKLGXNVTJNUDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)10-5-6-12(9(3)4)11(13)7-10/h5,8-9H,6-7H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one?
1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one has a molecular weight of 181.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-2,5-dihydropyridin-6-one is sourced from PubChem (CID 118243204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).