3-tert-butyl-3,4-dihydro-2H-pyridin-5-one

C9H15NO — CID 58468605

IUPAC3-tert-butyl-3,4-dihydro-2H-pyridin-5-one
SMILESCC(C)(C)C1CN=CC(=O)C1
InChIInChI=1S/C9H15NO/c1-9(2,3)7-4-8(11)6-10-5-7/h6-7H,4-5H2,1-3H3
InChIKeyJVWCBALRTWZHDH-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.69
Rot. Bonds

About 3-tert-butyl-3,4-dihydro-2H-pyridin-5-one

3-tert-butyl-3,4-dihydro-2H-pyridin-5-one (PubChem CID 58468605) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-tert-butyl-3,4-dihydro-2H-pyridin-5-one.

Molecular Properties

Compound Name3-tert-butyl-3,4-dihydro-2H-pyridin-5-one
PubChem CID58468605
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-tert-butyl-3,4-dihydro-2H-pyridin-5-one
SMILESCC(C)(C)C1CN=CC(=O)C1
InChIInChI=1S/C9H15NO/c1-9(2,3)7-4-8(11)6-10-5-7/h6-7H,4-5H2,1-3H3
InChIKeyJVWCBALRTWZHDH-UHFFFAOYSA-N
XLogP1.69
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-5-yl)-2,2,2-trifluoroethanone
CID 53893916
(1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one
CID 134988543
3,3-Diethyl-3,4-dihydropyridine-2,5-dione
CID 6618757
1-(2,3,4,5-Tetrahydropyridin-5-yl)ethanone
CID 53636822
1-[2,2-Dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone
CID 90361332
5-(2-Ethylpentylideneamino)pentan-2-one
CID 90725456
3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one
CID 91451660
4-Propan-2-yl-2,3,4,5-tetrahydroazepin-6-one
CID 123322218
ethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone
CID 169232192
2,2-Dimethyl-6-(2-methylbutylideneamino)hexan-3-one
CID 174310714
(3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one
CID 174858266
3-Tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one
CID 178011838

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3,4-dihydro-2H-pyridin-5-one?
The IUPAC name of 3-tert-butyl-3,4-dihydro-2H-pyridin-5-one (CID 58468605) is 3-tert-butyl-3,4-dihydro-2H-pyridin-5-one.
What is the SMILES notation for 3-tert-butyl-3,4-dihydro-2H-pyridin-5-one?
The canonical SMILES for 3-tert-butyl-3,4-dihydro-2H-pyridin-5-one is CC(C)(C)C1CN=CC(=O)C1.
What is the InChIKey of 3-tert-butyl-3,4-dihydro-2H-pyridin-5-one?
The InChIKey is JVWCBALRTWZHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)7-4-8(11)6-10-5-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-3,4-dihydro-2H-pyridin-5-one?
3-tert-butyl-3,4-dihydro-2H-pyridin-5-one has a molecular weight of 153.22 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3,4-dihydro-2H-pyridin-5-one is sourced from PubChem (CID 58468605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).