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

C14H25NO2 — CID 144801844

IUPACethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone
SMILESCC.CC1=CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C12H19NO2.C2H6/c1-10-2-6-13(7-3-10)12(14)11-4-8-15-9-5-11;1-2/h2,11H,3-9H2,1H3;1-2H3
InChIKeyNALYPPBVLBSMQO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.62
Rot. Bonds1

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

ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone (PubChem CID 144801844) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Nameethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone
PubChem CID144801844
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone
SMILESCC.CC1=CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C12H19NO2.C2H6/c1-10-2-6-13(7-3-10)12(14)11-4-8-15-9-5-11;1-2/h2,11H,3-9H2,1H3;1-2H3
InChIKeyNALYPPBVLBSMQO-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114413623
ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 144802269
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951
[(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 176865071
ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 145380354
[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-4-yl)methanone
CID 113086764
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone
CID 130310982
(4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409211
cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 138702100
oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 126776319
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone?
The IUPAC name of ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone (CID 144801844) is ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone?
The canonical SMILES for ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone is CC.CC1=CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone?
The InChIKey is NALYPPBVLBSMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.C2H6/c1-10-2-6-13(7-3-10)12(14)11-4-8-15-9-5-11;1-2/h2,11H,3-9H2,1H3;1-2H3.
What are the key properties of ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone?
ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 144801844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).