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

C10H15NO3 — CID 79131505

IUPAC3-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile
SMILESN#CC1(C2(O)CCCOC2)CCOC1
InChIInChI=1S/C10H15NO3/c11-6-9(3-5-14-7-9)10(12)2-1-4-13-8-10/h12H,1-5,7-8H2
InChIKeyCDLOICSGHHTFPF-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.46
Rot. Bonds1

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

3-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile (PubChem CID 79131505) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile
PubChem CID79131505
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile
SMILESN#CC1(C2(O)CCCOC2)CCOC1
InChIInChI=1S/C10H15NO3/c11-6-9(3-5-14-7-9)10(12)2-1-4-13-8-10/h12H,1-5,7-8H2
InChIKeyCDLOICSGHHTFPF-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 3-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile?
The IUPAC name of 3-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile (CID 79131505) is 3-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile.
What is the SMILES notation for 3-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile?
The canonical SMILES for 3-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile is N#CC1(C2(O)CCCOC2)CCOC1.
What is the InChIKey of 3-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile?
The InChIKey is CDLOICSGHHTFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c11-6-9(3-5-14-7-9)10(12)2-1-4-13-8-10/h12H,1-5,7-8H2.
What are the key properties of 3-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile?
3-(3-hydroxyoxan-3-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-(3-hydroxyoxan-3-yl)oxolane-3-carbonitrile is sourced from PubChem (CID 79131505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).