4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile

C10H15NO3 — CID 79130852

IUPAC4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile
SMILESN#CC1(C2(O)CCOC2)CCOCC1
InChIInChI=1S/C10H15NO3/c11-7-9(1-4-13-5-2-9)10(12)3-6-14-8-10/h12H,1-6,8H2
InChIKeyKPVZSIQOILZOEU-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.46
Rot. Bonds1

About 4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile

4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile (PubChem CID 79130852) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile
PubChem CID79130852
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile
SMILESN#CC1(C2(O)CCOC2)CCOCC1
InChIInChI=1S/C10H15NO3/c11-7-9(1-4-13-5-2-9)10(12)3-6-14-8-10/h12H,1-6,8H2
InChIKeyKPVZSIQOILZOEU-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile?
The IUPAC name of 4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile (CID 79130852) is 4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile.
What is the SMILES notation for 4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile?
The canonical SMILES for 4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile is N#CC1(C2(O)CCOC2)CCOCC1.
What is the InChIKey of 4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile?
The InChIKey is KPVZSIQOILZOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c11-7-9(1-4-13-5-2-9)10(12)3-6-14-8-10/h12H,1-6,8H2.
What are the key properties of 4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile?
4-(3-hydroxyoxolan-3-yl)oxane-4-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 4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile is sourced from PubChem (CID 79130852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).