2-(2,3-dihydroxypropoxy)propanenitrile

C6H11NO3 — CID 54069244

IUPAC2-(2,3-dihydroxypropoxy)propanenitrile
SMILESCC(C#N)OCC(O)CO
InChIInChI=1S/C6H11NO3/c1-5(2-7)10-4-6(9)3-8/h5-6,8-9H,3-4H2,1H3
InChIKeyMFFILOCANUCWRD-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.73
Rot. Bonds4

About 2-(2,3-dihydroxypropoxy)propanenitrile

2-(2,3-dihydroxypropoxy)propanenitrile (PubChem CID 54069244) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropoxy)propanenitrile.

Molecular Properties

Compound Name2-(2,3-dihydroxypropoxy)propanenitrile
PubChem CID54069244
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-(2,3-dihydroxypropoxy)propanenitrile
SMILESCC(C#N)OCC(O)CO
InChIInChI=1S/C6H11NO3/c1-5(2-7)10-4-6(9)3-8/h5-6,8-9H,3-4H2,1H3
InChIKeyMFFILOCANUCWRD-UHFFFAOYSA-N
XLogP-0.73
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol
CID 87843229
3-(4-hydroxypentan-2-yloxy)propane-1,2-diol
CID 126566671
3-(3-hydroxypentan-2-yloxy)propane-1,2-diol
CID 123265934
3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol
CID 173222430
3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol
CID 129092165
1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one
CID 174650131
3-(1-hydroxybut-2-enoxy)propane-1,2-diol
CID 91071629
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
3-alumanyloxypropane-1,2-diol;hydrate
CID 175040136
2-[2-[2-[2-[3-[1-[1,3-bis(1,3-dihydroxypropan-2-yloxy)propan-2-yloxy]-3-[1-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(1,3-dihydroxypropan-2-yloxy)-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-(1,3-dihydroxypropan-2-yloxy)propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]propane-1,3-diol
CID 89349229
3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 54295342
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropoxy)propanenitrile?
The IUPAC name of 2-(2,3-dihydroxypropoxy)propanenitrile (CID 54069244) is 2-(2,3-dihydroxypropoxy)propanenitrile.
What is the SMILES notation for 2-(2,3-dihydroxypropoxy)propanenitrile?
The canonical SMILES for 2-(2,3-dihydroxypropoxy)propanenitrile is CC(C#N)OCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropoxy)propanenitrile?
The InChIKey is MFFILOCANUCWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(2-7)10-4-6(9)3-8/h5-6,8-9H,3-4H2,1H3.
What are the key properties of 2-(2,3-dihydroxypropoxy)propanenitrile?
2-(2,3-dihydroxypropoxy)propanenitrile has a molecular weight of 145.16 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropoxy)propanenitrile is sourced from PubChem (CID 54069244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).