3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile

C7H12N2O — CID 106822378

IUPAC3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile
SMILESCNC1(C#N)CC(OC)C1
InChIInChI=1S/C7H12N2O/c1-9-7(5-8)3-6(4-7)10-2/h6,9H,3-4H2,1-2H3
InChIKeyPONODGPXQHZDFF-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.28
Rot. Bonds2

About 3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile

3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile (PubChem CID 106822378) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile
PubChem CID106822378
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile
SMILESCNC1(C#N)CC(OC)C1
InChIInChI=1S/C7H12N2O/c1-9-7(5-8)3-6(4-7)10-2/h6,9H,3-4H2,1-2H3
InChIKeyPONODGPXQHZDFF-UHFFFAOYSA-N
XLogP0.28
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile?
The IUPAC name of 3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile (CID 106822378) is 3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile is CNC1(C#N)CC(OC)C1.
What is the InChIKey of 3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile?
The InChIKey is PONODGPXQHZDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-7(5-8)3-6(4-7)10-2/h6,9H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile?
3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(methylamino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 106822378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).