(2S)-2,3-dimethoxypropanenitrile

C5H9NO2 — CID 92976102

IUPAC(2S)-2,3-dimethoxypropanenitrile
SMILESCOC[C@H](C#N)OC
InChIInChI=1S/C5H9NO2/c1-7-4-5(3-6)8-2/h5H,4H2,1-2H3/t5-/m0/s1
InChIKeyDFQDZETVYUYDGH-YFKPBYRVSA-N
MW115.13 g/mol
LogP0.17
Rot. Bonds3

About (2S)-2,3-dimethoxypropanenitrile

(2S)-2,3-dimethoxypropanenitrile (PubChem CID 92976102) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (2S)-2,3-dimethoxypropanenitrile.

Molecular Properties

Compound Name(2S)-2,3-dimethoxypropanenitrile
PubChem CID92976102
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(2S)-2,3-dimethoxypropanenitrile
SMILESCOC[C@H](C#N)OC
InChIInChI=1S/C5H9NO2/c1-7-4-5(3-6)8-2/h5H,4H2,1-2H3/t5-/m0/s1
InChIKeyDFQDZETVYUYDGH-YFKPBYRVSA-N
XLogP0.17
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyano-2-methoxyethyl) carbamate
CID 154928164
2-methoxy-5-methylhexanenitrile
CID 130959387
2-methoxyhexanenitrile
CID 13225791
2,4-dimethoxy-4-methylpentanenitrile
CID 106676522
(2R)-2-amino-3-methoxypropanenitrile
CID 94047442
(2S)-2-methoxy-3-methylbutanenitrile
CID 97030930
2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile
CID 65048803
2-hydroxy-4-methoxy-3-methylbutanenitrile
CID 116502277
N-(1-cyano-2-methoxyethyl)acetamide
CID 127014883
2-(2,2-dimethoxyethyl)propanedinitrile
CID 11008134
3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile
CID 65049474
3-methoxy-2-(4-methylpiperazin-1-yl)propanenitrile
CID 130166847

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethoxypropanenitrile?
The IUPAC name of (2S)-2,3-dimethoxypropanenitrile (CID 92976102) is (2S)-2,3-dimethoxypropanenitrile.
What is the SMILES notation for (2S)-2,3-dimethoxypropanenitrile?
The canonical SMILES for (2S)-2,3-dimethoxypropanenitrile is COC[C@H](C#N)OC.
What is the InChIKey of (2S)-2,3-dimethoxypropanenitrile?
The InChIKey is DFQDZETVYUYDGH-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9NO2/c1-7-4-5(3-6)8-2/h5H,4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2,3-dimethoxypropanenitrile?
(2S)-2,3-dimethoxypropanenitrile has a molecular weight of 115.13 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethoxypropanenitrile is sourced from PubChem (CID 92976102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).