3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile

C10H15NO3 — CID 79130683

IUPAC3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile
SMILESN#CC1(C2(O)CCOCC2)CCOC1
InChIInChI=1S/C10H15NO3/c11-7-9(1-4-14-8-9)10(12)2-5-13-6-3-10/h12H,1-6,8H2
InChIKeyDAZLIRLKCFXXMQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.46
Rot. Bonds1

About 3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile

3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile (PubChem CID 79130683) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile
PubChem CID79130683
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile
SMILESN#CC1(C2(O)CCOCC2)CCOC1
InChIInChI=1S/C10H15NO3/c11-7-9(1-4-14-8-9)10(12)2-5-13-6-3-10/h12H,1-6,8H2
InChIKeyDAZLIRLKCFXXMQ-UHFFFAOYSA-N
XLogP0.46
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Hydroxyoxepan-4-yl)oxolane-3-carbonitrile
CID 79127023
4-(2-Hydroxybutan-2-yl)oxane-4-carbonitrile
CID 79129171
3-(3-Hydroxyoxolan-3-yl)oxolane-3-carbonitrile
CID 79129398
2-(4-Hydroxyoxan-4-yl)-2-methylbutanenitrile
CID 79129520
3-(3-Hydroxypentan-3-yl)oxolane-3-carbonitrile
CID 79129601
Octahydro-4'-hydroxy[4,4'-bi-4H-pyran]-4-carbonitrile
CID 79129791
3-(2-Hydroxybutan-2-yl)oxolane-3-carbonitrile
CID 79130031
4-(2-Hydroxy-4-methoxybutan-2-yl)oxane-4-carbonitrile
CID 79130345
3-(2-Hydroxypropan-2-yl)oxolane-3-carbonitrile
CID 79130619
4-(3-Hydroxyoxolan-3-yl)oxane-4-carbonitrile
CID 79130852
4-(3-Hydroxypentan-3-yl)oxane-4-carbonitrile
CID 79131077
3-(2-Hydroxy-4-methoxybutan-2-yl)oxolane-3-carbonitrile
CID 79131241

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile?
The IUPAC name of 3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile (CID 79130683) is 3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile.
What is the SMILES notation for 3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile?
The canonical SMILES for 3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile is N#CC1(C2(O)CCOCC2)CCOC1.
What is the InChIKey of 3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile?
The InChIKey is DAZLIRLKCFXXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c11-7-9(1-4-14-8-9)10(12)2-5-13-6-3-10/h12H,1-6,8H2.
What are the key properties of 3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile?
3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile has a molecular weight of 197.23 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyoxan-4-yl)oxolane-3-carbonitrile is sourced from PubChem (CID 79130683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).