2-cyanoacetamide;N,N-dimethylformamide

C6H11N3O2 — CID 175162617

IUPAC2-cyanoacetamide;N,N-dimethylformamide
SMILESCN(C)C=O.N#CCC(N)=O
InChIInChI=1S/C3H4N2O.C3H7NO/c4-2-1-3(5)6;1-4(2)3-5/h1H2,(H2,5,6);3H,1-2H3
InChIKeyWOTNYHUZYCZKAH-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.91
Rot. Bonds2

About 2-cyanoacetamide;N,N-dimethylformamide

2-cyanoacetamide;N,N-dimethylformamide (PubChem CID 175162617) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-cyanoacetamide;N,N-dimethylformamide.

Molecular Properties

Compound Name2-cyanoacetamide;N,N-dimethylformamide
PubChem CID175162617
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name2-cyanoacetamide;N,N-dimethylformamide
SMILESCN(C)C=O.N#CCC(N)=O
InChIInChI=1S/C3H4N2O.C3H7NO/c4-2-1-3(5)6;1-4(2)3-5/h1H2,(H2,5,6);3H,1-2H3
InChIKeyWOTNYHUZYCZKAH-UHFFFAOYSA-N
XLogP-0.91
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyanoacetamide;N,N-dimethylformamide?
The IUPAC name of 2-cyanoacetamide;N,N-dimethylformamide (CID 175162617) is 2-cyanoacetamide;N,N-dimethylformamide.
What is the SMILES notation for 2-cyanoacetamide;N,N-dimethylformamide?
The canonical SMILES for 2-cyanoacetamide;N,N-dimethylformamide is CN(C)C=O.N#CCC(N)=O.
What is the InChIKey of 2-cyanoacetamide;N,N-dimethylformamide?
The InChIKey is WOTNYHUZYCZKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O.C3H7NO/c4-2-1-3(5)6;1-4(2)3-5/h1H2,(H2,5,6);3H,1-2H3.
What are the key properties of 2-cyanoacetamide;N,N-dimethylformamide?
2-cyanoacetamide;N,N-dimethylformamide has a molecular weight of 157.17 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoacetamide;N,N-dimethylformamide is sourced from PubChem (CID 175162617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).