1-ethoxy-3-methylcyclobutane-1-carbonitrile

C8H13NO — CID 103565397

IUPAC1-ethoxy-3-methylcyclobutane-1-carbonitrile
SMILESCCOC1(C#N)CC(C)C1
InChIInChI=1S/C8H13NO/c1-3-10-8(6-9)4-7(2)5-8/h7H,3-5H2,1-2H3
InChIKeyUCWADWHBOVJBFI-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.72
Rot. Bonds2

About 1-ethoxy-3-methylcyclobutane-1-carbonitrile

1-ethoxy-3-methylcyclobutane-1-carbonitrile (PubChem CID 103565397) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-ethoxy-3-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-ethoxy-3-methylcyclobutane-1-carbonitrile
PubChem CID103565397
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-ethoxy-3-methylcyclobutane-1-carbonitrile
SMILESCCOC1(C#N)CC(C)C1
InChIInChI=1S/C8H13NO/c1-3-10-8(6-9)4-7(2)5-8/h7H,3-5H2,1-2H3
InChIKeyUCWADWHBOVJBFI-UHFFFAOYSA-N
XLogP1.72
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methylcyclobutane-1-carbonitrile?
The IUPAC name of 1-ethoxy-3-methylcyclobutane-1-carbonitrile (CID 103565397) is 1-ethoxy-3-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-ethoxy-3-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-ethoxy-3-methylcyclobutane-1-carbonitrile is CCOC1(C#N)CC(C)C1.
What is the InChIKey of 1-ethoxy-3-methylcyclobutane-1-carbonitrile?
The InChIKey is UCWADWHBOVJBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-10-8(6-9)4-7(2)5-8/h7H,3-5H2,1-2H3.
What are the key properties of 1-ethoxy-3-methylcyclobutane-1-carbonitrile?
1-ethoxy-3-methylcyclobutane-1-carbonitrile has a molecular weight of 139.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 103565397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).