(2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile

C10H10N2O2 — CID 131174641

IUPAC(2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile
SMILESCO[C@@](N)(C#N)c1ccccc1C=O
InChIInChI=1S/C10H10N2O2/c1-14-10(12,7-11)9-5-3-2-4-8(9)6-13/h2-6H,12H2,1H3/t10-/m0/s1
InChIKeyCKBSWYCFRMADSH-JTQLQIEISA-N
MW190.20 g/mol
LogP0.78
Rot. Bonds3

About (2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile

(2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile (PubChem CID 131174641) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile
PubChem CID131174641
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile
SMILESCO[C@@](N)(C#N)c1ccccc1C=O
InChIInChI=1S/C10H10N2O2/c1-14-10(12,7-11)9-5-3-2-4-8(9)6-13/h2-6H,12H2,1H3/t10-/m0/s1
InChIKeyCKBSWYCFRMADSH-JTQLQIEISA-N
XLogP0.78
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile?
The IUPAC name of (2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile (CID 131174641) is (2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile?
The canonical SMILES for (2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile is CO[C@@](N)(C#N)c1ccccc1C=O.
What is the InChIKey of (2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile?
The InChIKey is CKBSWYCFRMADSH-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-10(12,7-11)9-5-3-2-4-8(9)6-13/h2-6H,12H2,1H3/t10-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile?
(2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile has a molecular weight of 190.20 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-formylphenyl)-2-methoxyacetonitrile is sourced from PubChem (CID 131174641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).