1-cyano-N,N-diethylformamide

C6H10N2O — CID 11434947

IUPAC1-cyano-N,N-diethylformamide
SMILESCCN(CC)C(=O)C#N
InChIInChI=1S/C6H10N2O/c1-3-8(4-2)6(9)5-7/h3-4H2,1-2H3
InChIKeyDKXMBLXQZGZEHR-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.38
Rot. Bonds2

About 1-cyano-N,N-diethylformamide

1-cyano-N,N-diethylformamide (PubChem CID 11434947) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-cyano-N,N-diethylformamide.

Molecular Properties

Compound Name1-cyano-N,N-diethylformamide
PubChem CID11434947
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-cyano-N,N-diethylformamide
SMILESCCN(CC)C(=O)C#N
InChIInChI=1S/C6H10N2O/c1-3-8(4-2)6(9)5-7/h3-4H2,1-2H3
InChIKeyDKXMBLXQZGZEHR-UHFFFAOYSA-N
XLogP0.38
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyano-N,N-diethylformamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N,N-diethylformamide?
The IUPAC name of 1-cyano-N,N-diethylformamide (CID 11434947) is 1-cyano-N,N-diethylformamide.
What is the SMILES notation for 1-cyano-N,N-diethylformamide?
The canonical SMILES for 1-cyano-N,N-diethylformamide is CCN(CC)C(=O)C#N.
What is the InChIKey of 1-cyano-N,N-diethylformamide?
The InChIKey is DKXMBLXQZGZEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-8(4-2)6(9)5-7/h3-4H2,1-2H3.
What are the key properties of 1-cyano-N,N-diethylformamide?
1-cyano-N,N-diethylformamide has a molecular weight of 126.16 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N,N-diethylformamide is sourced from PubChem (CID 11434947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).