3-(3-hydroxypropyl)oxolane-3-carbonitrile

C8H13NO2 — CID 130513834

IUPAC3-(3-hydroxypropyl)oxolane-3-carbonitrile
SMILESN#CC1(CCCO)CCOC1
InChIInChI=1S/C8H13NO2/c9-6-8(2-1-4-10)3-5-11-7-8/h10H,1-5,7H2
InChIKeyWIAVSVXXVGOAGS-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.69
Rot. Bonds3

About 3-(3-hydroxypropyl)oxolane-3-carbonitrile

3-(3-hydroxypropyl)oxolane-3-carbonitrile (PubChem CID 130513834) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-(3-hydroxypropyl)oxolane-3-carbonitrile
PubChem CID130513834
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-(3-hydroxypropyl)oxolane-3-carbonitrile
SMILESN#CC1(CCCO)CCOC1
InChIInChI=1S/C8H13NO2/c9-6-8(2-1-4-10)3-5-11-7-8/h10H,1-5,7H2
InChIKeyWIAVSVXXVGOAGS-UHFFFAOYSA-N
XLogP0.69
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-dodecyloxolane-3-carbonitrile
CID 65392721
1-(3-hydroxypropyl)cyclopropane-1-carbonitrile
CID 130514511
3-(2-cyclopentylethyl)oxolane-3-carbonitrile
CID 130479200
4-butyloxane-4-carbonitrile
CID 65392922
3-pent-4-ynyloxane-3-carbonitrile
CID 130513901
3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carbonitrile
CID 65394387
4-(chloromethyl)oxane-4-carbonitrile
CID 130559171
3-[2-(4-bromophenoxy)ethyl]oxolane-3-carbonitrile
CID 65393555
4-(3,3-dimethylbutyl)oxane-4-carbonitrile
CID 65393336
4-(aminooxymethyl)oxane-4-carbonitrile
CID 167072211
1-(2-hydroxyethyl)cycloheptane-1-carbonitrile
CID 130514134
3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile
CID 82870785

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)oxolane-3-carbonitrile?
The IUPAC name of 3-(3-hydroxypropyl)oxolane-3-carbonitrile (CID 130513834) is 3-(3-hydroxypropyl)oxolane-3-carbonitrile.
What is the SMILES notation for 3-(3-hydroxypropyl)oxolane-3-carbonitrile?
The canonical SMILES for 3-(3-hydroxypropyl)oxolane-3-carbonitrile is N#CC1(CCCO)CCOC1.
What is the InChIKey of 3-(3-hydroxypropyl)oxolane-3-carbonitrile?
The InChIKey is WIAVSVXXVGOAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-6-8(2-1-4-10)3-5-11-7-8/h10H,1-5,7H2.
What are the key properties of 3-(3-hydroxypropyl)oxolane-3-carbonitrile?
3-(3-hydroxypropyl)oxolane-3-carbonitrile has a molecular weight of 155.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)oxolane-3-carbonitrile is sourced from PubChem (CID 130513834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).