1,3,4-tritert-butylpyridin-2-one

C17H29NO — CID 59864261

IUPAC1,3,4-tritert-butylpyridin-2-one
SMILESCC(C)(C)c1ccn(C(C)(C)C)c(=O)c1C(C)(C)C
InChIInChI=1S/C17H29NO/c1-15(2,3)12-10-11-18(17(7,8)9)14(19)13(12)16(4,5)6/h10-11H,1-9H3
InChIKeyVYWNRUWFEDHYJZ-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.20
Rot. Bonds

About 1,3,4-tritert-butylpyridin-2-one

1,3,4-tritert-butylpyridin-2-one (PubChem CID 59864261) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1,3,4-tritert-butylpyridin-2-one.

Molecular Properties

Compound Name1,3,4-tritert-butylpyridin-2-one
PubChem CID59864261
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1,3,4-tritert-butylpyridin-2-one
SMILESCC(C)(C)c1ccn(C(C)(C)C)c(=O)c1C(C)(C)C
InChIInChI=1S/C17H29NO/c1-15(2,3)12-10-11-18(17(7,8)9)14(19)13(12)16(4,5)6/h10-11H,1-9H3
InChIKeyVYWNRUWFEDHYJZ-UHFFFAOYSA-N
XLogP4.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-tritert-butylpyridin-2-one?
The IUPAC name of 1,3,4-tritert-butylpyridin-2-one (CID 59864261) is 1,3,4-tritert-butylpyridin-2-one.
What is the SMILES notation for 1,3,4-tritert-butylpyridin-2-one?
The canonical SMILES for 1,3,4-tritert-butylpyridin-2-one is CC(C)(C)c1ccn(C(C)(C)C)c(=O)c1C(C)(C)C.
What is the InChIKey of 1,3,4-tritert-butylpyridin-2-one?
The InChIKey is VYWNRUWFEDHYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-15(2,3)12-10-11-18(17(7,8)9)14(19)13(12)16(4,5)6/h10-11H,1-9H3.
What are the key properties of 1,3,4-tritert-butylpyridin-2-one?
1,3,4-tritert-butylpyridin-2-one has a molecular weight of 263.42 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-tritert-butylpyridin-2-one is sourced from PubChem (CID 59864261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).