1-ethoxycyclobutane-1-carbonitrile

C7H11NO — CID 66071110

IUPAC1-ethoxycyclobutane-1-carbonitrile
SMILESCCOC1(C#N)CCC1
InChIInChI=1S/C7H11NO/c1-2-9-7(6-8)4-3-5-7/h2-5H2,1H3
InChIKeyQZKNQEZGLUTOJY-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.47
Rot. Bonds2

About 1-ethoxycyclobutane-1-carbonitrile

1-ethoxycyclobutane-1-carbonitrile (PubChem CID 66071110) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-ethoxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-ethoxycyclobutane-1-carbonitrile
PubChem CID66071110
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-ethoxycyclobutane-1-carbonitrile
SMILESCCOC1(C#N)CCC1
InChIInChI=1S/C7H11NO/c1-2-9-7(6-8)4-3-5-7/h2-5H2,1H3
InChIKeyQZKNQEZGLUTOJY-UHFFFAOYSA-N
XLogP1.47
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methoxycyclobutane-1-carbonitrile
CID 66071122
1-Fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile
CID 171454191
4,4-Dimethyl-2-oxetanecarbonitrile
CID 71433133
3-Methoxy-3-methylcyclobutane-1-carbonitrile
CID 13702295
2-Ethoxy-2-methylbutanenitrile
CID 66072757
cis-3-Isopropoxycyclobutanecarbonitrile
CID 84716209
4-Butoxy-4-methylpentanenitrile
CID 134483906
Ethane;3-methoxycyclobutane-1-carbonitrile
CID 166457861
(1r,3r)-3-(Tert-butoxy)cyclobutane-1-carbonitrile
CID 168022916
1-Propoxycyclobutane-1-carbonitrile
CID 169849517
1-(3-Methylbutoxy)cyclobutane-1-carbonitrile
CID 169850393
2-Ethyloxetane-2-carbonitrile
CID 171646594

Frequently Asked Questions

What is the IUPAC name of 1-ethoxycyclobutane-1-carbonitrile?
The IUPAC name of 1-ethoxycyclobutane-1-carbonitrile (CID 66071110) is 1-ethoxycyclobutane-1-carbonitrile.
What is the SMILES notation for 1-ethoxycyclobutane-1-carbonitrile?
The canonical SMILES for 1-ethoxycyclobutane-1-carbonitrile is CCOC1(C#N)CCC1.
What is the InChIKey of 1-ethoxycyclobutane-1-carbonitrile?
The InChIKey is QZKNQEZGLUTOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-9-7(6-8)4-3-5-7/h2-5H2,1H3.
What are the key properties of 1-ethoxycyclobutane-1-carbonitrile?
1-ethoxycyclobutane-1-carbonitrile has a molecular weight of 125.17 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxycyclobutane-1-carbonitrile is sourced from PubChem (CID 66071110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).