1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one

C10H17NO — CID 137394673

IUPAC1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one
SMILESCC1C=CN(C(C)(C)C)C(=O)C1
InChIInChI=1S/C10H17NO/c1-8-5-6-11(9(12)7-8)10(2,3)4/h5-6,8H,7H2,1-4H3
InChIKeyNUDQFNVGVRCSRK-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.17
Rot. Bonds

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

1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one (PubChem CID 137394673) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one
PubChem CID137394673
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one
SMILESCC1C=CN(C(C)(C)C)C(=O)C1
InChIInChI=1S/C10H17NO/c1-8-5-6-11(9(12)7-8)10(2,3)4/h5-6,8H,7H2,1-4H3
InChIKeyNUDQFNVGVRCSRK-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Butyl-3,4-dihydropyridin-2-one
CID 102173697
Ethyl-3,4-dihydropyridin-2(1h)-one
CID 129814926
1-(2-Fluoroethyl)-4-methyl-3,4-dihydropyridin-2-one
CID 90688878
4,4,4-trifluoro-1-(4-methyl-3,4-dihydro-2H-pyridin-1-yl)butan-1-one
CID 121451638
4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one
CID 138702432
ethane;4,4,4-trifluoro-1-(4-methyl-3,4-dihydro-2H-pyridin-1-yl)butan-1-one
CID 145147945
1-Tert-butyl-3,4-dihydropyridin-2-one
CID 58268658
1H-Pyrrole, 1-(2,2-dimethyl-1-oxobutyl)-2,3-dihydro-
CID 45088946
Propionyl tetrahydro-pyridine
CID 129675821
(2R,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide
CID 134922741
(2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide
CID 134987381
N-[(1E)-1,3-butadienyl]-N-isopropyl-4-pentenamide
CID 14526643

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one?
The IUPAC name of 1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one (CID 137394673) is 1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one is CC1C=CN(C(C)(C)C)C(=O)C1.
What is the InChIKey of 1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one?
The InChIKey is NUDQFNVGVRCSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-5-6-11(9(12)7-8)10(2,3)4/h5-6,8H,7H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one?
1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 137394673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).