1,2-di(propan-2-yl)pyridin-4-one

C11H17NO — CID 20786202

IUPAC1,2-di(propan-2-yl)pyridin-4-one
SMILESCC(C)c1cc(=O)ccn1C(C)C
InChIInChI=1S/C11H17NO/c1-8(2)11-7-10(13)5-6-12(11)9(3)4/h5-9H,1-4H3
InChIKeyGATOJOFFZHKDQF-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.55
Rot. Bonds2

About 1,2-di(propan-2-yl)pyridin-4-one

1,2-di(propan-2-yl)pyridin-4-one (PubChem CID 20786202) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)pyridin-4-one.

Molecular Properties

Compound Name1,2-di(propan-2-yl)pyridin-4-one
PubChem CID20786202
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1,2-di(propan-2-yl)pyridin-4-one
SMILESCC(C)c1cc(=O)ccn1C(C)C
InChIInChI=1S/C11H17NO/c1-8(2)11-7-10(13)5-6-12(11)9(3)4/h5-9H,1-4H3
InChIKeyGATOJOFFZHKDQF-UHFFFAOYSA-N
XLogP2.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)pyridin-4-one?
The IUPAC name of 1,2-di(propan-2-yl)pyridin-4-one (CID 20786202) is 1,2-di(propan-2-yl)pyridin-4-one.
What is the SMILES notation for 1,2-di(propan-2-yl)pyridin-4-one?
The canonical SMILES for 1,2-di(propan-2-yl)pyridin-4-one is CC(C)c1cc(=O)ccn1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)pyridin-4-one?
The InChIKey is GATOJOFFZHKDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)11-7-10(13)5-6-12(11)9(3)4/h5-9H,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)pyridin-4-one?
1,2-di(propan-2-yl)pyridin-4-one has a molecular weight of 179.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)pyridin-4-one is sourced from PubChem (CID 20786202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).