1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide

C10H18BrNO — CID 2873148

IUPAC1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide
SMILESBr.CC1=CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C10H17NO.BrH/c1-8-5-6-11(7-9(8)12)10(2,3)4;/h5H,6-7H2,1-4H3;1H
InChIKeyNJDCBCCDDOLQON-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.19
Rot. Bonds

About 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide

1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide (PubChem CID 2873148) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide
PubChem CID2873148
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide
SMILESBr.CC1=CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C10H17NO.BrH/c1-8-5-6-11(7-9(8)12)10(2,3)4;/h5H,6-7H2,1-4H3;1H
InChIKeyNJDCBCCDDOLQON-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide?
The IUPAC name of 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide (CID 2873148) is 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide.
What is the SMILES notation for 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide?
The canonical SMILES for 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide is Br.CC1=CCN(C(C)(C)C)CC1=O.
What is the InChIKey of 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide?
The InChIKey is NJDCBCCDDOLQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.BrH/c1-8-5-6-11(7-9(8)12)10(2,3)4;/h5H,6-7H2,1-4H3;1H.
What are the key properties of 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide?
1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide has a molecular weight of 248.16 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide is sourced from PubChem (CID 2873148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).