N-[2-(methylideneamino)ethyl]acetamide

C5H10N2O — CID 55299023

IUPACN-[2-(methylideneamino)ethyl]acetamide
SMILESC=NCCNC(C)=O
InChIInChI=1S/C5H10N2O/c1-5(8)7-4-3-6-2/h2-4H2,1H3,(H,7,8)
InChIKeyVNEPZKULUOMTJU-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.18
Rot. Bonds3

About N-[2-(methylideneamino)ethyl]acetamide

N-[2-(methylideneamino)ethyl]acetamide (PubChem CID 55299023) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-[2-(methylideneamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(methylideneamino)ethyl]acetamide
PubChem CID55299023
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-[2-(methylideneamino)ethyl]acetamide
SMILESC=NCCNC(C)=O
InChIInChI=1S/C5H10N2O/c1-5(8)7-4-3-6-2/h2-4H2,1H3,(H,7,8)
InChIKeyVNEPZKULUOMTJU-UHFFFAOYSA-N
XLogP-0.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylideneamino)ethyl]acetamide?
The IUPAC name of N-[2-(methylideneamino)ethyl]acetamide (CID 55299023) is N-[2-(methylideneamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(methylideneamino)ethyl]acetamide?
The canonical SMILES for N-[2-(methylideneamino)ethyl]acetamide is C=NCCNC(C)=O.
What is the InChIKey of N-[2-(methylideneamino)ethyl]acetamide?
The InChIKey is VNEPZKULUOMTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-5(8)7-4-3-6-2/h2-4H2,1H3,(H,7,8).
What are the key properties of N-[2-(methylideneamino)ethyl]acetamide?
N-[2-(methylideneamino)ethyl]acetamide has a molecular weight of 114.15 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylideneamino)ethyl]acetamide is sourced from PubChem (CID 55299023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).