1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one

C10H17NO — CID 54399934

IUPAC1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
SMILESCCC(=O)C1=NCCC(C)(C)C1
InChIInChI=1S/C10H17NO/c1-4-9(12)8-7-10(2,3)5-6-11-8/h4-7H2,1-3H3
InChIKeyVMRKKMZJUZDGII-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.23
Rot. Bonds2

About 1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one

1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one (PubChem CID 54399934) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
PubChem CID54399934
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
SMILESCCC(=O)C1=NCCC(C)(C)C1
InChIInChI=1S/C10H17NO/c1-4-9(12)8-7-10(2,3)5-6-11-8/h4-7H2,1-3H3
InChIKeyVMRKKMZJUZDGII-UHFFFAOYSA-N
XLogP2.23
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4096510
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3,3-Dimethyl-5-propyliminocyclohexan-1-one
CID 7309587
2-Butanoyl-3-butylimino-5,5-dimethylcyclohexan-1-one
CID 7169199
5-Cycloheptylimino-3,3-dimethylcyclohexan-1-one
CID 7307155
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018
5-Ethylimino-3,3-dimethylcyclohexan-1-one
CID 7157416
5-Cyclopropylimino-3,3-dimethylcyclohexan-1-one
CID 8025300
5-Cyclohexylimino-3,3-dimethylcyclohexan-1-one
CID 8025462
7,7-Dimethyl-2,3,4,4a,6,8-hexahydroquinolin-5-one
CID 54017108
1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone
CID 54291385
Bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone
CID 54498059

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one?
The IUPAC name of 1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one (CID 54399934) is 1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one.
What is the SMILES notation for 1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one?
The canonical SMILES for 1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one is CCC(=O)C1=NCCC(C)(C)C1.
What is the InChIKey of 1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one?
The InChIKey is VMRKKMZJUZDGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-9(12)8-7-10(2,3)5-6-11-8/h4-7H2,1-3H3.
What are the key properties of 1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one?
1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one has a molecular weight of 167.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one is sourced from PubChem (CID 54399934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).