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

C14H22N2O2 — CID 102737709

IUPAC1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
SMILESCC1(C)CN(C(=O)C2(C#N)CCC2)CC(C)(C)O1
InChIInChI=1S/C14H22N2O2/c1-12(2)9-16(10-13(3,4)18-12)11(17)14(8-15)6-5-7-14/h5-7,9-10H2,1-4H3
InChIKeyBFWZJCPUTHQCGW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.10
Rot. Bonds1

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

1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 102737709) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
PubChem CID102737709
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
SMILESCC1(C)CN(C(=O)C2(C#N)CCC2)CC(C)(C)O1
InChIInChI=1S/C14H22N2O2/c1-12(2)9-16(10-13(3,4)18-12)11(17)14(8-15)6-5-7-14/h5-7,9-10H2,1-4H3
InChIKeyBFWZJCPUTHQCGW-UHFFFAOYSA-N
XLogP2.10
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbonitrile
CID 102738630
1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 131208967
1-(2,2-dimethylmorpholine-4-carbonyl)cyclohexane-1-carbonitrile
CID 61461376
1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 78994637
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 71683394
4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]oxane-4-carbonitrile
CID 97145239
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide
CID 102743896
1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 116991513
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octane-2-carbonyl)cyclopentane-1-carbonitrile
CID 131685321
1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 106669285

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile (CID 102737709) is 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile is CC1(C)CN(C(=O)C2(C#N)CCC2)CC(C)(C)O1.
What is the InChIKey of 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is BFWZJCPUTHQCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(2)9-16(10-13(3,4)18-12)11(17)14(8-15)6-5-7-14/h5-7,9-10H2,1-4H3.
What are the key properties of 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 250.34 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 102737709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).