4-tert-butyl-1H-pyridin-2-one;ethane

C11H19NO — CID 160791376

IUPAC4-tert-butyl-1H-pyridin-2-one;ethane
SMILESCC.CC(C)(C)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H13NO.C2H6/c1-9(2,3)7-4-5-10-8(11)6-7;1-2/h4-6H,1-3H3,(H,10,11);1-2H3
InChIKeySBWDWRHWSIQTMR-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.70
Rot. Bonds

About 4-tert-butyl-1H-pyridin-2-one;ethane

4-tert-butyl-1H-pyridin-2-one;ethane (PubChem CID 160791376) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-tert-butyl-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name4-tert-butyl-1H-pyridin-2-one;ethane
PubChem CID160791376
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-tert-butyl-1H-pyridin-2-one;ethane
SMILESCC.CC(C)(C)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H13NO.C2H6/c1-9(2,3)7-4-5-10-8(11)6-7;1-2/h4-6H,1-3H3,(H,10,11);1-2H3
InChIKeySBWDWRHWSIQTMR-UHFFFAOYSA-N
XLogP2.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-pyridin-2-one;ethane?
The IUPAC name of 4-tert-butyl-1H-pyridin-2-one;ethane (CID 160791376) is 4-tert-butyl-1H-pyridin-2-one;ethane.
What is the SMILES notation for 4-tert-butyl-1H-pyridin-2-one;ethane?
The canonical SMILES for 4-tert-butyl-1H-pyridin-2-one;ethane is CC.CC(C)(C)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-tert-butyl-1H-pyridin-2-one;ethane?
The InChIKey is SBWDWRHWSIQTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-9(2,3)7-4-5-10-8(11)6-7;1-2/h4-6H,1-3H3,(H,10,11);1-2H3.
What are the key properties of 4-tert-butyl-1H-pyridin-2-one;ethane?
4-tert-butyl-1H-pyridin-2-one;ethane has a molecular weight of 181.28 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-pyridin-2-one;ethane is sourced from PubChem (CID 160791376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).