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

C10H18ClNO — CID 146051328

IUPAC1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride
SMILESCC1=CC(=O)CN(C(C)(C)C)C1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-8-5-9(12)7-11(6-8)10(2,3)4;/h5H,6-7H2,1-4H3;1H
InChIKeySRRWFZPZUCITHF-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.04
Rot. Bonds

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

1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride (PubChem CID 146051328) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride
PubChem CID146051328
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride
SMILESCC1=CC(=O)CN(C(C)(C)C)C1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-8-5-9(12)7-11(6-8)10(2,3)4;/h5H,6-7H2,1-4H3;1H
InChIKeySRRWFZPZUCITHF-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-t-Butyl-2,5-dimethyl-4,5-dehydro-3-piperidone
CID 3438403
1,2,5-Trimethyl-4,5-dehydropiperid-3-one
CID 3591042
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-methyl-2,6-dihydropyridin-3-one;hydrobromide
CID 163331713
1,5-Dimethyl-1,6-dihydropyridin-3(2H)-one
CID 1415560
2-(dimethylamino)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanone;hydrochloride
CID 21757452

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride?
The IUPAC name of 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride (CID 146051328) is 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride.
What is the SMILES notation for 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride?
The canonical SMILES for 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride is CC1=CC(=O)CN(C(C)(C)C)C1.Cl.
What is the InChIKey of 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride?
The InChIKey is SRRWFZPZUCITHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.ClH/c1-8-5-9(12)7-11(6-8)10(2,3)4;/h5H,6-7H2,1-4H3;1H.
What are the key properties of 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride?
1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride has a molecular weight of 203.71 g/mol, XLogP of 2.04, 0 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-2,6-dihydropyridin-3-one;hydrochloride is sourced from PubChem (CID 146051328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).