2-ethyl-1-hydroxycyclobutane-1-carbonitrile

C7H11NO — CID 166845441

IUPAC2-ethyl-1-hydroxycyclobutane-1-carbonitrile
SMILESCCC1CCC1(O)C#N
InChIInChI=1S/C7H11NO/c1-2-6-3-4-7(6,9)5-8/h6,9H,2-4H2,1H3
InChIKeyFYEOCCRDYCDFCX-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.06
Rot. Bonds1

About 2-ethyl-1-hydroxycyclobutane-1-carbonitrile

2-ethyl-1-hydroxycyclobutane-1-carbonitrile (PubChem CID 166845441) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-ethyl-1-hydroxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2-ethyl-1-hydroxycyclobutane-1-carbonitrile
PubChem CID166845441
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-ethyl-1-hydroxycyclobutane-1-carbonitrile
SMILESCCC1CCC1(O)C#N
InChIInChI=1S/C7H11NO/c1-2-6-3-4-7(6,9)5-8/h6,9H,2-4H2,1H3
InChIKeyFYEOCCRDYCDFCX-UHFFFAOYSA-N
XLogP1.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-hydroxycyclobutane-1-carbonitrile?
The IUPAC name of 2-ethyl-1-hydroxycyclobutane-1-carbonitrile (CID 166845441) is 2-ethyl-1-hydroxycyclobutane-1-carbonitrile.
What is the SMILES notation for 2-ethyl-1-hydroxycyclobutane-1-carbonitrile?
The canonical SMILES for 2-ethyl-1-hydroxycyclobutane-1-carbonitrile is CCC1CCC1(O)C#N.
What is the InChIKey of 2-ethyl-1-hydroxycyclobutane-1-carbonitrile?
The InChIKey is FYEOCCRDYCDFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-6-3-4-7(6,9)5-8/h6,9H,2-4H2,1H3.
What are the key properties of 2-ethyl-1-hydroxycyclobutane-1-carbonitrile?
2-ethyl-1-hydroxycyclobutane-1-carbonitrile has a molecular weight of 125.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-hydroxycyclobutane-1-carbonitrile is sourced from PubChem (CID 166845441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).