2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone

C11H17NO — CID 130991866

IUPAC2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESO=C(CC1CCC1)N1CC=CCC1
InChIInChI=1S/C11H17NO/c13-11(9-10-5-4-6-10)12-7-2-1-3-8-12/h1-2,10H,3-9H2
InChIKeyHAVGWTUUWVADKQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.97
Rot. Bonds2

About 2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone

2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 130991866) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID130991866
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESO=C(CC1CCC1)N1CC=CCC1
InChIInChI=1S/C11H17NO/c13-11(9-10-5-4-6-10)12-7-2-1-3-8-12/h1-2,10H,3-9H2
InChIKeyHAVGWTUUWVADKQ-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106671365
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 103745565
2-bromo-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 114408452
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
2-cyclobutyl-1-[4-(ethylamino)piperidin-1-yl]ethanone
CID 103161305
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538
1-(2-cyclobutylacetyl)piperidine-3-carbothioamide
CID 103163717
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
1-(3,6-dihydro-2H-pyridin-1-yl)-2-(dimethylamino)ethanone
CID 91175888
2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119560451
2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
CID 110108066

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 130991866) is 2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone is O=C(CC1CCC1)N1CC=CCC1.
What is the InChIKey of 2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is HAVGWTUUWVADKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-11(9-10-5-4-6-10)12-7-2-1-3-8-12/h1-2,10H,3-9H2.
What are the key properties of 2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 179.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 130991866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).