6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one

C14H23NO — CID 134561004

IUPAC6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one
SMILESCC(C)C(C)c1cc(C(C)(C)C)[nH]c(=O)c1
InChIInChI=1S/C14H23NO/c1-9(2)10(3)11-7-12(14(4,5)6)15-13(16)8-11/h7-10H,1-6H3,(H,15,16)
InChIKeyFEIPBMCZRJZKLT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.43
Rot. Bonds2

About 6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one

6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one (PubChem CID 134561004) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one
PubChem CID134561004
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one
SMILESCC(C)C(C)c1cc(C(C)(C)C)[nH]c(=O)c1
InChIInChI=1S/C14H23NO/c1-9(2)10(3)11-7-12(14(4,5)6)15-13(16)8-11/h7-10H,1-6H3,(H,15,16)
InChIKeyFEIPBMCZRJZKLT-UHFFFAOYSA-N
XLogP3.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one (CID 134561004) is 6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one is CC(C)C(C)c1cc(C(C)(C)C)[nH]c(=O)c1.
What is the InChIKey of 6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one?
The InChIKey is FEIPBMCZRJZKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(2)10(3)11-7-12(14(4,5)6)15-13(16)8-11/h7-10H,1-6H3,(H,15,16).
What are the key properties of 6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one?
6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 134561004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).