(2R)-2-formyl-3-hydroxy-2-methylpropanenitrile

C5H7NO2 — CID 102204106

IUPAC(2R)-2-formyl-3-hydroxy-2-methylpropanenitrile
SMILESC[C@](C#N)(C=O)CO
InChIInChI=1S/C5H7NO2/c1-5(2-6,3-7)4-8/h3,8H,4H2,1H3/t5-/m0/s1
InChIKeyYUGNTFYNONZXFL-YFKPBYRVSA-N
MW113.12 g/mol
LogP-0.29
Rot. Bonds2

About (2R)-2-formyl-3-hydroxy-2-methylpropanenitrile

(2R)-2-formyl-3-hydroxy-2-methylpropanenitrile (PubChem CID 102204106) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is (2R)-2-formyl-3-hydroxy-2-methylpropanenitrile.

Molecular Properties

Compound Name(2R)-2-formyl-3-hydroxy-2-methylpropanenitrile
PubChem CID102204106
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name(2R)-2-formyl-3-hydroxy-2-methylpropanenitrile
SMILESC[C@](C#N)(C=O)CO
InChIInChI=1S/C5H7NO2/c1-5(2-6,3-7)4-8/h3,8H,4H2,1H3/t5-/m0/s1
InChIKeyYUGNTFYNONZXFL-YFKPBYRVSA-N
XLogP-0.29
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2R)-2-formyl-3-hydroxy-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanol;3-hydroxy-2,2-dimethylpropanal
CID 175112473
2-(hydroxymethyl)-2-propylpentanal
CID 90738055
(2S)-2,4-dihydroxy-3,3-dimethylbutanenitrile
CID 11378502
2,2-bis(hydroxymethyl)propanedial
CID 22595150
2-formyl-6-(4-hexylcyclohexyl)-2-methyldecanenitrile
CID 57072035
2-(hydroxymethyl)-2-methoxybutanenitrile
CID 123789746
2,2-dimethylpropane-1,1-diol;3-hydroxy-2,2-dimethylpropanal
CID 162717045
2-cyanobutane-2-sulfonic acid;2-methyl-1-oxopropane-2-sulfonic acid
CID 174311742
2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide
CID 107857130
(5R)-5-hydroxy-5-methyl-6-oxohexanenitrile
CID 130921838
2-hydroxy-2-methylhex-5-enenitrile
CID 22561336
2-ethyl-2-(hydroxymethyl)pentanal
CID 19088220

Frequently Asked Questions

What is the IUPAC name of (2R)-2-formyl-3-hydroxy-2-methylpropanenitrile?
The IUPAC name of (2R)-2-formyl-3-hydroxy-2-methylpropanenitrile (CID 102204106) is (2R)-2-formyl-3-hydroxy-2-methylpropanenitrile.
What is the SMILES notation for (2R)-2-formyl-3-hydroxy-2-methylpropanenitrile?
The canonical SMILES for (2R)-2-formyl-3-hydroxy-2-methylpropanenitrile is C[C@](C#N)(C=O)CO.
What is the InChIKey of (2R)-2-formyl-3-hydroxy-2-methylpropanenitrile?
The InChIKey is YUGNTFYNONZXFL-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H7NO2/c1-5(2-6,3-7)4-8/h3,8H,4H2,1H3/t5-/m0/s1.
What are the key properties of (2R)-2-formyl-3-hydroxy-2-methylpropanenitrile?
(2R)-2-formyl-3-hydroxy-2-methylpropanenitrile has a molecular weight of 113.12 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-formyl-3-hydroxy-2-methylpropanenitrile is sourced from PubChem (CID 102204106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).