2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile

C11H18N2O — CID 130555203

IUPAC2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile
SMILESCC1(C)CCC1(C#N)N1CCOCC1
InChIInChI=1S/C11H18N2O/c1-10(2)3-4-11(10,9-12)13-5-7-14-8-6-13/h3-8H2,1-2H3
InChIKeyKGFWJIJCGOWLCF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.40
Rot. Bonds1

About 2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile

2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile (PubChem CID 130555203) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile
PubChem CID130555203
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile
SMILESCC1(C)CCC1(C#N)N1CCOCC1
InChIInChI=1S/C11H18N2O/c1-10(2)3-4-11(10,9-12)13-5-7-14-8-6-13/h3-8H2,1-2H3
InChIKeyKGFWJIJCGOWLCF-UHFFFAOYSA-N
XLogP1.40
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile
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3-morpholin-4-ylthiolane-3-carbonitrile
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2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 75229714
3-morpholin-4-ylpiperidine-3-carbonitrile
CID 79308459
6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 72742222
2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile
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3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile
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9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile?
The IUPAC name of 2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile (CID 130555203) is 2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile.
What is the SMILES notation for 2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile?
The canonical SMILES for 2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile is CC1(C)CCC1(C#N)N1CCOCC1.
What is the InChIKey of 2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile?
The InChIKey is KGFWJIJCGOWLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(2)3-4-11(10,9-12)13-5-7-14-8-6-13/h3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile?
2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile is sourced from PubChem (CID 130555203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).