1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile

C10H15NO2 — CID 79133076

IUPAC1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(C2(O)CCCOC2)CCC1
InChIInChI=1S/C10H15NO2/c11-7-9(3-1-4-9)10(12)5-2-6-13-8-10/h12H,1-6,8H2
InChIKeyTYPDYOLYNMLJOT-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.22
Rot. Bonds1

About 1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile

1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile (PubChem CID 79133076) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile
PubChem CID79133076
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(C2(O)CCCOC2)CCC1
InChIInChI=1S/C10H15NO2/c11-7-9(3-1-4-9)10(12)5-2-6-13-8-10/h12H,1-6,8H2
InChIKeyTYPDYOLYNMLJOT-UHFFFAOYSA-N
XLogP1.22
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxyoxan-3-yl)oxane-3-carbonitrile
CID 103715835
1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile
CID 80603437
3-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile
CID 79131505
3-(4-hydroxyoxepan-4-yl)oxane-3-carbonitrile
CID 103715856
4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile
CID 79130852
3-(1-hydroxy-2,2-dimethylcyclopentyl)oxane-3-carbonitrile
CID 103738416
3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile
CID 79118405
1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile
CID 79129448
3-(1-ethyl-4-hydroxyazepan-4-yl)oxane-3-carbonitrile
CID 103715853
3-(4-hydroxy-1-propylazepan-4-yl)oxane-3-carbonitrile
CID 103715854
1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile
CID 79131268
1-(4-hydroxyoxepan-4-yl)-4-propylcyclohexane-1-carbonitrile
CID 79128935

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile (CID 79133076) is 1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile is N#CC1(C2(O)CCCOC2)CCC1.
What is the InChIKey of 1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile?
The InChIKey is TYPDYOLYNMLJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c11-7-9(3-1-4-9)10(12)5-2-6-13-8-10/h12H,1-6,8H2.
What are the key properties of 1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile?
1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile has a molecular weight of 181.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 79133076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).