ethane;3-methoxycyclobutane-1-carbonitrile

C8H15NO — CID 166457861

IUPACethane;3-methoxycyclobutane-1-carbonitrile
SMILESCC.COC1CC(C#N)C1
InChIInChI=1S/C6H9NO.C2H6/c1-8-6-2-5(3-6)4-7;1-2/h5-6H,2-3H2,1H3;1-2H3
InChIKeyNZOAADJOZQMHMO-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.96
Rot. Bonds1

About ethane;3-methoxycyclobutane-1-carbonitrile

ethane;3-methoxycyclobutane-1-carbonitrile (PubChem CID 166457861) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethane;3-methoxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Nameethane;3-methoxycyclobutane-1-carbonitrile
PubChem CID166457861
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethane;3-methoxycyclobutane-1-carbonitrile
SMILESCC.COC1CC(C#N)C1
InChIInChI=1S/C6H9NO.C2H6/c1-8-6-2-5(3-6)4-7;1-2/h5-6H,2-3H2,1H3;1-2H3
InChIKeyNZOAADJOZQMHMO-UHFFFAOYSA-N
XLogP1.96
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxycyclobutane-1-carbonitrile?
The IUPAC name of ethane;3-methoxycyclobutane-1-carbonitrile (CID 166457861) is ethane;3-methoxycyclobutane-1-carbonitrile.
What is the SMILES notation for ethane;3-methoxycyclobutane-1-carbonitrile?
The canonical SMILES for ethane;3-methoxycyclobutane-1-carbonitrile is CC.COC1CC(C#N)C1.
What is the InChIKey of ethane;3-methoxycyclobutane-1-carbonitrile?
The InChIKey is NZOAADJOZQMHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C2H6/c1-8-6-2-5(3-6)4-7;1-2/h5-6H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;3-methoxycyclobutane-1-carbonitrile?
ethane;3-methoxycyclobutane-1-carbonitrile has a molecular weight of 141.21 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxycyclobutane-1-carbonitrile is sourced from PubChem (CID 166457861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).