3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile

C12H18N2O2 — CID 80599333

IUPAC3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CCOCC2C)C1
InChIInChI=1S/C12H18N2O2/c1-9-5-12(6-9,8-13)11(15)14-3-4-16-7-10(14)2/h9-10H,3-7H2,1-2H3
InChIKeyDLXQLOXQBMVRFL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.17
Rot. Bonds1

About 3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile

3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 80599333) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
PubChem CID80599333
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CCOCC2C)C1
InChIInChI=1S/C12H18N2O2/c1-9-5-12(6-9,8-13)11(15)14-3-4-16-7-10(14)2/h9-10H,3-7H2,1-2H3
InChIKeyDLXQLOXQBMVRFL-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile (CID 80599333) is 3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile is CC1CC(C#N)(C(=O)N2CCOCC2C)C1.
What is the InChIKey of 3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is DLXQLOXQBMVRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-12(6-9,8-13)11(15)14-3-4-16-7-10(14)2/h9-10H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile?
3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 222.29 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 80599333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).