5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide

C10H18BrNO — CID 163331713

IUPAC5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide
SMILESBr.CN1CC(=O)C=C(C(C)(C)C)C1
InChIInChI=1S/C10H17NO.BrH/c1-10(2,3)8-5-9(12)7-11(4)6-8;/h5H,6-7H2,1-4H3;1H
InChIKeyHROFPHNEPDOBNE-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.05
Rot. Bonds

About 5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide

5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide (PubChem CID 163331713) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide.

Molecular Properties

Compound Name5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide
PubChem CID163331713
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide
SMILESBr.CN1CC(=O)C=C(C(C)(C)C)C1
InChIInChI=1S/C10H17NO.BrH/c1-10(2,3)8-5-9(12)7-11(4)6-8;/h5H,6-7H2,1-4H3;1H
InChIKeyHROFPHNEPDOBNE-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-Pyridin-3-one, 1,5-di-tert-butyl-1,6-dihydro-
CID 871578
Cambridge id 5548354
CID 2851696
Azacyclohex-3-en-5-one, 1-tert-butyl-3-methyl-
CID 592338
1-Ethyl-5-methyl-2,6-dihydropyridin-3-one
CID 1415642
1-Tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide
CID 2873148
1-tert-butyl-4-methyl-1,6-dihydropyridin-3(2H)-one
CID 760900
5-tert-butyl-1-methyl-1,6-dihydropyridin-3(2H)-one
CID 12260942
5-(Tert-butyl)-1,2-dimethyl-1,6-dihydro-3(2H)-pyridinone
CID 13443196
1-Tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride
CID 146051328
1,5-Dimethyl-1,6-dihydropyridin-3(2H)-one
CID 1415560
2-(dimethylamino)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
CID 21757453
1-Methyl-5-propan-2-yl-2,6-dihydropyridin-3-one
CID 45095922

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide?
The IUPAC name of 5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide (CID 163331713) is 5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide.
What is the SMILES notation for 5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide?
The canonical SMILES for 5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide is Br.CN1CC(=O)C=C(C(C)(C)C)C1.
What is the InChIKey of 5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide?
The InChIKey is HROFPHNEPDOBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.BrH/c1-10(2,3)8-5-9(12)7-11(4)6-8;/h5H,6-7H2,1-4H3;1H.
What are the key properties of 5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide?
5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide has a molecular weight of 248.16 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide is sourced from PubChem (CID 163331713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).