1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile

C11H17NO2 — CID 130491628

IUPAC1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile
SMILESCC1COCCC1(O)C1(C#N)CCC1
InChIInChI=1S/C11H17NO2/c1-9-7-14-6-5-11(9,13)10(8-12)3-2-4-10/h9,13H,2-7H2,1H3
InChIKeyXTKQGNPOGFGJLQ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.47
Rot. Bonds1

About 1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile

1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile (PubChem CID 130491628) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile
PubChem CID130491628
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile
SMILESCC1COCCC1(O)C1(C#N)CCC1
InChIInChI=1S/C11H17NO2/c1-9-7-14-6-5-11(9,13)10(8-12)3-2-4-10/h9,13H,2-7H2,1H3
InChIKeyXTKQGNPOGFGJLQ-UHFFFAOYSA-N
XLogP1.47
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxy-2,5-dimethylcyclohexyl)cyclobutane-1-carbonitrile
CID 79131972
1-(1-hydroxy-2,4-dimethylcyclohexyl)cycloheptane-1-carbonitrile
CID 79132636
1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile
CID 79133076
3-(1-hydroxy-2,2-dimethylcyclopentyl)oxane-3-carbonitrile
CID 103738416
1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile
CID 116874921
3-(4-hydroxyoxepan-4-yl)oxane-3-carbonitrile
CID 103715856
1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile
CID 130513311
1-(1-hydroxy-2,2-dimethylcyclohexyl)cyclobutane-1-carbonitrile
CID 79852266
1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile
CID 79131268
4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile
CID 114510704
1-(1-hydroxy-2,4,4-trimethylcyclopentyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 106664431
1-(1-hydroxy-4-propan-2-ylcyclohexyl)cyclobutane-1-carbonitrile
CID 79129220

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile (CID 130491628) is 1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile is CC1COCCC1(O)C1(C#N)CCC1.
What is the InChIKey of 1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile?
The InChIKey is XTKQGNPOGFGJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-7-14-6-5-11(9,13)10(8-12)3-2-4-10/h9,13H,2-7H2,1H3.
What are the key properties of 1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile?
1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile has a molecular weight of 195.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 130491628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).