N-(C,N-dimethylcarbonimidoyl)propanamide

C6H12N2O — CID 89227228

IUPACN-(C,N-dimethylcarbonimidoyl)propanamide
SMILESCCC(=O)N/C(C)=N/C
InChIInChI=1S/C6H12N2O/c1-4-6(9)8-5(2)7-3/h4H2,1-3H3,(H,7,8,9)
InChIKeyKWNREHZZHVETAJ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.56
Rot. Bonds1

About N-(C,N-dimethylcarbonimidoyl)propanamide

N-(C,N-dimethylcarbonimidoyl)propanamide (PubChem CID 89227228) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-(C,N-dimethylcarbonimidoyl)propanamide.

Molecular Properties

Compound NameN-(C,N-dimethylcarbonimidoyl)propanamide
PubChem CID89227228
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-(C,N-dimethylcarbonimidoyl)propanamide
SMILESCCC(=O)N/C(C)=N/C
InChIInChI=1S/C6H12N2O/c1-4-6(9)8-5(2)7-3/h4H2,1-3H3,(H,7,8,9)
InChIKeyKWNREHZZHVETAJ-UHFFFAOYSA-N
XLogP0.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.56
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-(C,N-dimethylcarbonimidoyl)propanamide?
The IUPAC name of N-(C,N-dimethylcarbonimidoyl)propanamide (CID 89227228) is N-(C,N-dimethylcarbonimidoyl)propanamide.
What is the SMILES notation for N-(C,N-dimethylcarbonimidoyl)propanamide?
The canonical SMILES for N-(C,N-dimethylcarbonimidoyl)propanamide is CCC(=O)N/C(C)=N/C.
What is the InChIKey of N-(C,N-dimethylcarbonimidoyl)propanamide?
The InChIKey is KWNREHZZHVETAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-6(9)8-5(2)7-3/h4H2,1-3H3,(H,7,8,9).
What are the key properties of N-(C,N-dimethylcarbonimidoyl)propanamide?
N-(C,N-dimethylcarbonimidoyl)propanamide has a molecular weight of 128.17 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C,N-dimethylcarbonimidoyl)propanamide is sourced from PubChem (CID 89227228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).