5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one

C17H31NO — CID 23552338

IUPAC5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one
SMILESCCCC1CC(C(C)(C)C)=C(C(C)(C)C)N(C)C1=O
InChIInChI=1S/C17H31NO/c1-9-10-12-11-13(16(2,3)4)14(17(5,6)7)18(8)15(12)19/h12H,9-11H2,1-8H3
InChIKeyHNGUCPGMZBBMNG-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.61
Rot. Bonds2

About 5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one

5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one (PubChem CID 23552338) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one
PubChem CID23552338
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one
SMILESCCCC1CC(C(C)(C)C)=C(C(C)(C)C)N(C)C1=O
InChIInChI=1S/C17H31NO/c1-9-10-12-11-13(16(2,3)4)14(17(5,6)7)18(8)15(12)19/h12H,9-11H2,1-8H3
InChIKeyHNGUCPGMZBBMNG-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopentyl-N,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carboxamide
CID 9971432
1,4-Dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one
CID 10856064
1,3-Dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one
CID 15531623
3-Butyl-5,6-ditert-butyl-1-methyl-3,4-dihydropyridin-2-one
CID 20872072
6-butyl-3,4-ditert-butyl-1-methyl-5,6-dihydro-2H-azepin-7-one
CID 20872073
4-butyl-6,7-ditert-butyl-1-methyl-4,5-dihydro-3H-azepin-2-one
CID 20872140
5,6-Ditert-butyl-1,3-dimethyl-3,4-dihydropyridin-2-one
CID 23402519
3-Butyl-5,6-ditert-butyl-1-methylpyridine-2,4-dione
CID 23402591
3,4-ditert-butyl-1-methyl-6-propyl-5,6-dihydro-2H-azepin-7-one
CID 23552340
5,6-Ditert-butyl-1-methyl-3-propylpyridine-2,4-dione
CID 23552343
6,7-ditert-butyl-1-methyl-4-propyl-4,5-dihydro-3H-azepin-2-one
CID 23552349
2,3,4,4,7-Pentamethyl-1-azabicyclo[4.2.0]oct-2-en-8-one
CID 23571971

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one?
The IUPAC name of 5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one (CID 23552338) is 5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one is CCCC1CC(C(C)(C)C)=C(C(C)(C)C)N(C)C1=O.
What is the InChIKey of 5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one?
The InChIKey is HNGUCPGMZBBMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-9-10-12-11-13(16(2,3)4)14(17(5,6)7)18(8)15(12)19/h12H,9-11H2,1-8H3.
What are the key properties of 5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one?
5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one has a molecular weight of 265.44 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1-methyl-3-propyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 23552338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).