2-tert-butyl-2,3-dihydro-1H-pyridin-6-one

C9H15NO — CID 130019544

IUPAC2-tert-butyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC(C)(C)C1CC=CC(=O)N1
InChIInChI=1S/C9H15NO/c1-9(2,3)7-5-4-6-8(11)10-7/h4,6-7H,5H2,1-3H3,(H,10,11)
InChIKeyCZLYPZFEASDEIK-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds

About 2-tert-butyl-2,3-dihydro-1H-pyridin-6-one

2-tert-butyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 130019544) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-tert-butyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name2-tert-butyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID130019544
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-tert-butyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC(C)(C)C1CC=CC(=O)N1
InChIInChI=1S/C9H15NO/c1-9(2,3)7-5-4-6-8(11)10-7/h4,6-7H,5H2,1-3H3,(H,10,11)
InChIKeyCZLYPZFEASDEIK-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid
CID 15233514
methyl (2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylate
CID 15233513
2-phenyl-2,3-dihydro-1H-pyridin-6-one
CID 10035072
methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate
CID 11665473
4a,5,9,9a-tetrahydropyrido[2,3-b]azepin-8-one
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6-tert-butyl-1,3-diazinane-2,4-dione
CID 78207120
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one
CID 70683812
2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one
CID 13328443
(2R)-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydro-1H-pyridin-6-one
CID 24905698
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CID 86332731
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CID 90391345

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 2-tert-butyl-2,3-dihydro-1H-pyridin-6-one (CID 130019544) is 2-tert-butyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 2-tert-butyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 2-tert-butyl-2,3-dihydro-1H-pyridin-6-one is CC(C)(C)C1CC=CC(=O)N1.
What is the InChIKey of 2-tert-butyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is CZLYPZFEASDEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)7-5-4-6-8(11)10-7/h4,6-7H,5H2,1-3H3,(H,10,11).
What are the key properties of 2-tert-butyl-2,3-dihydro-1H-pyridin-6-one?
2-tert-butyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 153.22 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 130019544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).