2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one

C17H31NO — CID 20872195

IUPAC2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one
SMILESCCCCC1CC(=O)C(C(C)(C)C)=C(C(C)(C)C)N1
InChIInChI=1S/C17H31NO/c1-8-9-10-12-11-13(19)14(16(2,3)4)15(18-12)17(5,6)7/h12,18H,8-11H2,1-7H3
InChIKeyOBDXVFRXQKUJKE-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.45
Rot. Bonds3

About 2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one

2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one (PubChem CID 20872195) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one
PubChem CID20872195
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one
SMILESCCCCC1CC(=O)C(C(C)(C)C)=C(C(C)(C)C)N1
InChIInChI=1S/C17H31NO/c1-8-9-10-12-11-13(19)14(16(2,3)4)15(18-12)17(5,6)7/h12,18H,8-11H2,1-7H3
InChIKeyOBDXVFRXQKUJKE-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one?
The IUPAC name of 2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one (CID 20872195) is 2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one.
What is the SMILES notation for 2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one?
The canonical SMILES for 2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one is CCCCC1CC(=O)C(C(C)(C)C)=C(C(C)(C)C)N1.
What is the InChIKey of 2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one?
The InChIKey is OBDXVFRXQKUJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-8-9-10-12-11-13(19)14(16(2,3)4)15(18-12)17(5,6)7/h12,18H,8-11H2,1-7H3.
What are the key properties of 2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one?
2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one has a molecular weight of 265.44 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,6-ditert-butyl-2,3-dihydro-1H-pyridin-4-one is sourced from PubChem (CID 20872195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).