2-(propan-2-ylideneamino)acetamide

C5H10N2O — CID 55289705

IUPAC2-(propan-2-ylideneamino)acetamide
SMILESCC(C)=NCC(N)=O
InChIInChI=1S/C5H10N2O/c1-4(2)7-3-5(6)8/h3H2,1-2H3,(H2,6,8)
InChIKeyUTRWIJWXPSNYLC-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.05
Rot. Bonds2

About 2-(propan-2-ylideneamino)acetamide

2-(propan-2-ylideneamino)acetamide (PubChem CID 55289705) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-(propan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(propan-2-ylideneamino)acetamide
PubChem CID55289705
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-(propan-2-ylideneamino)acetamide
SMILESCC(C)=NCC(N)=O
InChIInChI=1S/C5H10N2O/c1-4(2)7-3-5(6)8/h3H2,1-2H3,(H2,6,8)
InChIKeyUTRWIJWXPSNYLC-UHFFFAOYSA-N
XLogP-0.05
TPSA55.45 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 ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(propan-2-ylideneamino)acetamide 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 2-(propan-2-ylideneamino)acetamide?
The IUPAC name of 2-(propan-2-ylideneamino)acetamide (CID 55289705) is 2-(propan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(propan-2-ylideneamino)acetamide?
The canonical SMILES for 2-(propan-2-ylideneamino)acetamide is CC(C)=NCC(N)=O.
What is the InChIKey of 2-(propan-2-ylideneamino)acetamide?
The InChIKey is UTRWIJWXPSNYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(2)7-3-5(6)8/h3H2,1-2H3,(H2,6,8).
What are the key properties of 2-(propan-2-ylideneamino)acetamide?
2-(propan-2-ylideneamino)acetamide has a molecular weight of 114.15 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylideneamino)acetamide is sourced from PubChem (CID 55289705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).