N-(ethyliminomethyl)acetamide

C5H10N2O — CID 59310309

IUPACN-(ethyliminomethyl)acetamide
SMILESCC/N=C/NC(C)=O
InChIInChI=1S/C5H10N2O/c1-3-6-4-7-5(2)8/h4H,3H2,1-2H3,(H,6,7,8)
InChIKeyKCDUTUIQTVJOAD-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.17
Rot. Bonds2

About N-(ethyliminomethyl)acetamide

N-(ethyliminomethyl)acetamide (PubChem CID 59310309) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-(ethyliminomethyl)acetamide.

Molecular Properties

Compound NameN-(ethyliminomethyl)acetamide
PubChem CID59310309
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-(ethyliminomethyl)acetamide
SMILESCC/N=C/NC(C)=O
InChIInChI=1S/C5H10N2O/c1-3-6-4-7-5(2)8/h4H,3H2,1-2H3,(H,6,7,8)
InChIKeyKCDUTUIQTVJOAD-UHFFFAOYSA-N
XLogP0.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethyliminomethyl)acetamide?
The IUPAC name of N-(ethyliminomethyl)acetamide (CID 59310309) is N-(ethyliminomethyl)acetamide.
What is the SMILES notation for N-(ethyliminomethyl)acetamide?
The canonical SMILES for N-(ethyliminomethyl)acetamide is CC/N=C/NC(C)=O.
What is the InChIKey of N-(ethyliminomethyl)acetamide?
The InChIKey is KCDUTUIQTVJOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-6-4-7-5(2)8/h4H,3H2,1-2H3,(H,6,7,8).
What are the key properties of N-(ethyliminomethyl)acetamide?
N-(ethyliminomethyl)acetamide has a molecular weight of 114.15 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethyliminomethyl)acetamide is sourced from PubChem (CID 59310309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).