1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile

C12H18N2O2 — CID 78994637

IUPAC1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
SMILESCC1CN(C(=O)C2(C#N)CCC2)CC(C)O1
InChIInChI=1S/C12H18N2O2/c1-9-6-14(7-10(2)16-9)11(15)12(8-13)4-3-5-12/h9-10H,3-7H2,1-2H3
InChIKeyILJMQPMOMLYTBE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.32
Rot. Bonds1

About 1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile

1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 78994637) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
PubChem CID78994637
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
SMILESCC1CN(C(=O)C2(C#N)CCC2)CC(C)O1
InChIInChI=1S/C12H18N2O2/c1-9-6-14(7-10(2)16-9)11(15)12(8-13)4-3-5-12/h9-10H,3-7H2,1-2H3
InChIKeyILJMQPMOMLYTBE-UHFFFAOYSA-N
XLogP1.32
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile
CID 102932743
1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 106669285
1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 131208967
1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile
CID 80592362
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cycloheptane-1-carbonitrile
CID 115559859
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 102737709
1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 81464602
1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
CID 80501388
1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
CID 80501195
1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile
CID 164651159
(1-aminocyclopentyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119261690
ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 144937315

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile (CID 78994637) is 1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile is CC1CN(C(=O)C2(C#N)CCC2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is ILJMQPMOMLYTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-6-14(7-10(2)16-9)11(15)12(8-13)4-3-5-12/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 222.29 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 78994637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).