N-(cyanomethyl)-N-ethylacetamide

C6H10N2O — CID 14023628

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

About N-(cyanomethyl)-N-ethylacetamide

N-(cyanomethyl)-N-ethylacetamide (PubChem CID 14023628) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-(cyanomethyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-ethylacetamide
PubChem CID14023628
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-(cyanomethyl)-N-ethylacetamide
SMILESCCN(CC#N)C(C)=O
InChIInChI=1S/C6H10N2O/c1-3-8(5-4-7)6(2)9/h3,5H2,1-2H3
InChIKeyLPOKIHUSEKZFCK-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': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-ethylacetamide?
The IUPAC name of N-(cyanomethyl)-N-ethylacetamide (CID 14023628) is N-(cyanomethyl)-N-ethylacetamide.
What is the SMILES notation for N-(cyanomethyl)-N-ethylacetamide?
The canonical SMILES for N-(cyanomethyl)-N-ethylacetamide is CCN(CC#N)C(C)=O.
What is the InChIKey of N-(cyanomethyl)-N-ethylacetamide?
The InChIKey is LPOKIHUSEKZFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-8(5-4-7)6(2)9/h3,5H2,1-2H3.
What are the key properties of N-(cyanomethyl)-N-ethylacetamide?
N-(cyanomethyl)-N-ethylacetamide 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 N-(cyanomethyl)-N-ethylacetamide is sourced from PubChem (CID 14023628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).