2-propan-2-yliminoacetamide

C5H10N2O — CID 55291127

IUPAC2-propan-2-yliminoacetamide
SMILESCC(C)/N=C/C(N)=O
InChIInChI=1S/C5H10N2O/c1-4(2)7-3-5(6)8/h3-4H,1-2H3,(H2,6,8)/b7-3+
InChIKeyKGYOKVOQXYYWOI-XVNBXDOJSA-N
MW114.15 g/mol
LogP-0.05
Rot. Bonds2

About 2-propan-2-yliminoacetamide

2-propan-2-yliminoacetamide (PubChem CID 55291127) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-propan-2-yliminoacetamide.

Molecular Properties

Compound Name2-propan-2-yliminoacetamide
PubChem CID55291127
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-propan-2-yliminoacetamide
SMILESCC(C)/N=C/C(N)=O
InChIInChI=1S/C5H10N2O/c1-4(2)7-3-5(6)8/h3-4H,1-2H3,(H2,6,8)/b7-3+
InChIKeyKGYOKVOQXYYWOI-XVNBXDOJSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yliminoacetamide?
The IUPAC name of 2-propan-2-yliminoacetamide (CID 55291127) is 2-propan-2-yliminoacetamide.
What is the SMILES notation for 2-propan-2-yliminoacetamide?
The canonical SMILES for 2-propan-2-yliminoacetamide is CC(C)/N=C/C(N)=O.
What is the InChIKey of 2-propan-2-yliminoacetamide?
The InChIKey is KGYOKVOQXYYWOI-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(2)7-3-5(6)8/h3-4H,1-2H3,(H2,6,8)/b7-3+.
What are the key properties of 2-propan-2-yliminoacetamide?
2-propan-2-yliminoacetamide 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-yliminoacetamide is sourced from PubChem (CID 55291127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).