2-butan-2-yl-1H-pyridin-4-one

C9H13NO — CID 89145839

IUPAC2-butan-2-yl-1H-pyridin-4-one
SMILESCCC(C)c1cc(=O)cc[nH]1
InChIInChI=1S/C9H13NO/c1-3-7(2)9-6-8(11)4-5-10-9/h4-7H,3H2,1-2H3,(H,10,11)
InChIKeyOOLAWYSYHYEMIK-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.89
Rot. Bonds2

About 2-butan-2-yl-1H-pyridin-4-one

2-butan-2-yl-1H-pyridin-4-one (PubChem CID 89145839) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-butan-2-yl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-butan-2-yl-1H-pyridin-4-one
PubChem CID89145839
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-butan-2-yl-1H-pyridin-4-one
SMILESCCC(C)c1cc(=O)cc[nH]1
InChIInChI=1S/C9H13NO/c1-3-7(2)9-6-8(11)4-5-10-9/h4-7H,3H2,1-2H3,(H,10,11)
InChIKeyOOLAWYSYHYEMIK-UHFFFAOYSA-N
XLogP1.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1H-pyridin-4-one?
The IUPAC name of 2-butan-2-yl-1H-pyridin-4-one (CID 89145839) is 2-butan-2-yl-1H-pyridin-4-one.
What is the SMILES notation for 2-butan-2-yl-1H-pyridin-4-one?
The canonical SMILES for 2-butan-2-yl-1H-pyridin-4-one is CCC(C)c1cc(=O)cc[nH]1.
What is the InChIKey of 2-butan-2-yl-1H-pyridin-4-one?
The InChIKey is OOLAWYSYHYEMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-7(2)9-6-8(11)4-5-10-9/h4-7H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-butan-2-yl-1H-pyridin-4-one?
2-butan-2-yl-1H-pyridin-4-one has a molecular weight of 151.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1H-pyridin-4-one is sourced from PubChem (CID 89145839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).