ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C14H25NO2 — CID 144802269

IUPACethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC.CC1=CCN(C(=O)C2CC(C)(O)C2)CC1
InChIInChI=1S/C12H19NO2.C2H6/c1-9-3-5-13(6-4-9)11(14)10-7-12(2,15)8-10;1-2/h3,10,15H,4-8H2,1-2H3;1-2H3
InChIKeyOWSHLVRIIOLTTH-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.35
Rot. Bonds1

About ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 144802269) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Nameethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID144802269
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC.CC1=CCN(C(=O)C2CC(C)(O)C2)CC1
InChIInChI=1S/C12H19NO2.C2H6/c1-9-3-5-13(6-4-9)11(14)10-7-12(2,15)8-10;1-2/h3,10,15H,4-8H2,1-2H3;1-2H3
InChIKeyOWSHLVRIIOLTTH-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 144802269) is ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC.CC1=CCN(C(=O)C2CC(C)(O)C2)CC1.
What is the InChIKey of ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is OWSHLVRIIOLTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.C2H6/c1-9-3-5-13(6-4-9)11(14)10-7-12(2,15)8-10;1-2/h3,10,15H,4-8H2,1-2H3;1-2H3.
What are the key properties of ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 144802269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).