2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone

C11H17NO — CID 83963297

IUPAC2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone
SMILESO=C(CC1CCC1)C1=NCCCC1
InChIInChI=1S/C11H17NO/c13-11(8-9-4-3-5-9)10-6-1-2-7-12-10/h9H,1-8H2
InChIKeyBWBOHGKMGDFDSC-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.37
Rot. Bonds3

About 2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone

2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone (PubChem CID 83963297) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone
PubChem CID83963297
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone
SMILESO=C(CC1CCC1)C1=NCCCC1
InChIInChI=1S/C11H17NO/c13-11(8-9-4-3-5-9)10-6-1-2-7-12-10/h9H,1-8H2
InChIKeyBWBOHGKMGDFDSC-UHFFFAOYSA-N
XLogP2.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Azacyclotridec-1-EN-2-YL)-1-cyclohexanone
CID 4096510
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018
1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
CID 54399934
Bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone
CID 54498059
2-Methyl-1-(2,3,4,5-tetrahydropyridin-6-yl)propan-1-one
CID 57329290
6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
CID 58448513
(4R)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,5-dimethylhexan-3-one
CID 59615837
(4S)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,5-dimethylhexan-3-one
CID 59615868
3-Methyl-1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one
CID 69098499
1-(6-Methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone
CID 90928147
2-Azabicyclo[6.2.0]dec-1-en-7-one
CID 91255714
5-Cyclobutylimino-3,3-dimethylcyclohexan-1-one
CID 91450747

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone (CID 83963297) is 2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone is O=C(CC1CCC1)C1=NCCCC1.
What is the InChIKey of 2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone?
The InChIKey is BWBOHGKMGDFDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-11(8-9-4-3-5-9)10-6-1-2-7-12-10/h9H,1-8H2.
What are the key properties of 2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone?
2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone has a molecular weight of 179.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone is sourced from PubChem (CID 83963297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).