2-cyano-N-[(4-formylphenyl)methyl]acetamide

C11H10N2O2 — CID 88911411

IUPAC2-cyano-N-[(4-formylphenyl)methyl]acetamide
SMILESN#CCC(=O)NCc1ccc(C=O)cc1
InChIInChI=1S/C11H10N2O2/c12-6-5-11(15)13-7-9-1-3-10(8-14)4-2-9/h1-4,8H,5,7H2,(H,13,15)
InChIKeyYJSHZGUTAHVBFI-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.03
Rot. Bonds4

About 2-cyano-N-[(4-formylphenyl)methyl]acetamide

2-cyano-N-[(4-formylphenyl)methyl]acetamide (PubChem CID 88911411) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-cyano-N-[(4-formylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(4-formylphenyl)methyl]acetamide
PubChem CID88911411
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-cyano-N-[(4-formylphenyl)methyl]acetamide
SMILESN#CCC(=O)NCc1ccc(C=O)cc1
InChIInChI=1S/C11H10N2O2/c12-6-5-11(15)13-7-9-1-3-10(8-14)4-2-9/h1-4,8H,5,7H2,(H,13,15)
InChIKeyYJSHZGUTAHVBFI-UHFFFAOYSA-N
XLogP1.03
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[(4-fluorophenyl)methyl]acetamide
CID 4183587
sodium;N-benzyl-2-cyanoacetamide;hydride
CID 173433462
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide
CID 20984709
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
3-[(4-formylphenyl)methylamino]propanenitrile
CID 86109958
4-(ethylaminomethyl)benzaldehyde
CID 87956656
2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384971
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280
2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide
CID 20985387
methyl 4-[[[2-(4-formylbenzoyl)oxyacetyl]amino]methyl]benzoate
CID 7669974
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-formylphenyl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(4-formylphenyl)methyl]acetamide (CID 88911411) is 2-cyano-N-[(4-formylphenyl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(4-formylphenyl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(4-formylphenyl)methyl]acetamide is N#CCC(=O)NCc1ccc(C=O)cc1.
What is the InChIKey of 2-cyano-N-[(4-formylphenyl)methyl]acetamide?
The InChIKey is YJSHZGUTAHVBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-6-5-11(15)13-7-9-1-3-10(8-14)4-2-9/h1-4,8H,5,7H2,(H,13,15).
What are the key properties of 2-cyano-N-[(4-formylphenyl)methyl]acetamide?
2-cyano-N-[(4-formylphenyl)methyl]acetamide has a molecular weight of 202.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-formylphenyl)methyl]acetamide is sourced from PubChem (CID 88911411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).