1-methoxy-3-methylcyclobutane-1-carbonitrile

C7H11NO — CID 103565395

IUPAC1-methoxy-3-methylcyclobutane-1-carbonitrile
SMILESCOC1(C#N)CC(C)C1
InChIInChI=1S/C7H11NO/c1-6-3-7(4-6,5-8)9-2/h6H,3-4H2,1-2H3
InChIKeyCKQMHCGUIQUPMY-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.33
Rot. Bonds1

About 1-methoxy-3-methylcyclobutane-1-carbonitrile

1-methoxy-3-methylcyclobutane-1-carbonitrile (PubChem CID 103565395) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-methoxy-3-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-methoxy-3-methylcyclobutane-1-carbonitrile
PubChem CID103565395
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-methoxy-3-methylcyclobutane-1-carbonitrile
SMILESCOC1(C#N)CC(C)C1
InChIInChI=1S/C7H11NO/c1-6-3-7(4-6,5-8)9-2/h6H,3-4H2,1-2H3
InChIKeyCKQMHCGUIQUPMY-UHFFFAOYSA-N
XLogP1.33
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylcyclobutane-1-carbonitrile?
The IUPAC name of 1-methoxy-3-methylcyclobutane-1-carbonitrile (CID 103565395) is 1-methoxy-3-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-methoxy-3-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-methoxy-3-methylcyclobutane-1-carbonitrile is COC1(C#N)CC(C)C1.
What is the InChIKey of 1-methoxy-3-methylcyclobutane-1-carbonitrile?
The InChIKey is CKQMHCGUIQUPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-3-7(4-6,5-8)9-2/h6H,3-4H2,1-2H3.
What are the key properties of 1-methoxy-3-methylcyclobutane-1-carbonitrile?
1-methoxy-3-methylcyclobutane-1-carbonitrile has a molecular weight of 125.17 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 103565395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).