1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one

C13H23NO — CID 1415615

IUPAC1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one
SMILESCC1=C(C(C)C)C(=O)CN(C(C)(C)C)C1
InChIInChI=1S/C13H23NO/c1-9(2)12-10(3)7-14(8-11(12)15)13(4,5)6/h9H,7-8H2,1-6H3
InChIKeyMEKWXBFASVJWQA-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds1

About 1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one

1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one (PubChem CID 1415615) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one
PubChem CID1415615
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one
SMILESCC1=C(C(C)C)C(=O)CN(C(C)(C)C)C1
InChIInChI=1S/C13H23NO/c1-9(2)12-10(3)7-14(8-11(12)15)13(4,5)6/h9H,7-8H2,1-6H3
InChIKeyMEKWXBFASVJWQA-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one?
The IUPAC name of 1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one (CID 1415615) is 1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one is CC1=C(C(C)C)C(=O)CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one?
The InChIKey is MEKWXBFASVJWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9(2)12-10(3)7-14(8-11(12)15)13(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one?
1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one has a molecular weight of 209.33 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 1415615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).