1-methoxycyclobutane-1-carbonitrile

C6H9NO — CID 66071122

IUPAC1-methoxycyclobutane-1-carbonitrile
SMILESCOC1(C#N)CCC1
InChIInChI=1S/C6H9NO/c1-8-6(5-7)3-2-4-6/h2-4H2,1H3
InChIKeyDTJBZSFLHHEVDX-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.08
Rot. Bonds1

About 1-methoxycyclobutane-1-carbonitrile

1-methoxycyclobutane-1-carbonitrile (PubChem CID 66071122) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-methoxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-methoxycyclobutane-1-carbonitrile
PubChem CID66071122
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1-methoxycyclobutane-1-carbonitrile
SMILESCOC1(C#N)CCC1
InChIInChI=1S/C6H9NO/c1-8-6(5-7)3-2-4-6/h2-4H2,1H3
InChIKeyDTJBZSFLHHEVDX-UHFFFAOYSA-N
XLogP1.08
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethoxycyclobutane-1-carbonitrile
CID 66071110
2-Methoxy-2-methylpentanenitrile
CID 66070291
Cyclobutanecarbonitrile, 3-(fluoromethyl)-3-methoxy-, trans-
CID 168857165
2-Ethyl-2-methoxybutanenitrile
CID 13099195
3-Methoxy-3-methylcyclobutane-1-carbonitrile
CID 13702295
3-Methoxy-3-methylbutanenitrile
CID 14880677
CID 57945140
CID 57945140
2-Methoxy-2-methylbutanenitrile
CID 66073187
4-Methoxy-4-methylpentanenitrile
CID 89129728
(1r,3r)-3-(Tert-butoxy)cyclobutane-1-carbonitrile
CID 168022916
1-Propoxycyclobutane-1-carbonitrile
CID 169849517
1-(3-Methylbutoxy)cyclobutane-1-carbonitrile
CID 169850393

Frequently Asked Questions

What is the IUPAC name of 1-methoxycyclobutane-1-carbonitrile?
The IUPAC name of 1-methoxycyclobutane-1-carbonitrile (CID 66071122) is 1-methoxycyclobutane-1-carbonitrile.
What is the SMILES notation for 1-methoxycyclobutane-1-carbonitrile?
The canonical SMILES for 1-methoxycyclobutane-1-carbonitrile is COC1(C#N)CCC1.
What is the InChIKey of 1-methoxycyclobutane-1-carbonitrile?
The InChIKey is DTJBZSFLHHEVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-8-6(5-7)3-2-4-6/h2-4H2,1H3.
What are the key properties of 1-methoxycyclobutane-1-carbonitrile?
1-methoxycyclobutane-1-carbonitrile has a molecular weight of 111.14 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxycyclobutane-1-carbonitrile is sourced from PubChem (CID 66071122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).