N-propanimidoylpropanamide

C6H12N2O — CID 173088249

IUPACN-propanimidoylpropanamide
SMILES[H]/N=C(\CC)NC(=O)CC
InChIInChI=1S/C6H12N2O/c1-3-5(7)8-6(9)4-2/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyPDSQIPSRVHFOAG-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.90
Rot. Bonds2

About N-propanimidoylpropanamide

N-propanimidoylpropanamide (PubChem CID 173088249) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-propanimidoylpropanamide.

Molecular Properties

Compound NameN-propanimidoylpropanamide
PubChem CID173088249
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-propanimidoylpropanamide
SMILES[H]/N=C(\CC)NC(=O)CC
InChIInChI=1S/C6H12N2O/c1-3-5(7)8-6(9)4-2/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyPDSQIPSRVHFOAG-UHFFFAOYSA-N
XLogP0.90
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.90
H-Bond Donors ≤ 52
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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Related Compounds

N-(2-fluoropropanimidoyl)acetamide
CID 173645007
N-(2-fluorobutanimidoyl)acetamide
CID 173645008
N-(N-methyl-C-propylcarbonimidoyl)acetamide
CID 88928598
N-(C,N-dimethylcarbonimidoyl)propanamide
CID 89227228
N-(C-ethyl-N-methylcarbonimidoyl)acetamide
CID 118527281
N-(2,2-dimethylpropanimidoyl)acetamide
CID 140440767
N-(2-methylpropanimidoyl)acetamide
CID 142079476
N-butanimidoylacetamide
CID 145288423
N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide
CID 146416706
2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide
CID 147835006
N-ethanimidoylacetamide
CID 149150437
1-(2-Methylpropanoylamino)ethylideneazanide
CID 149316648

Frequently Asked Questions

What is the IUPAC name of N-propanimidoylpropanamide?
The IUPAC name of N-propanimidoylpropanamide (CID 173088249) is N-propanimidoylpropanamide.
What is the SMILES notation for N-propanimidoylpropanamide?
The canonical SMILES for N-propanimidoylpropanamide is [H]/N=C(\CC)NC(=O)CC.
What is the InChIKey of N-propanimidoylpropanamide?
The InChIKey is PDSQIPSRVHFOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-5(7)8-6(9)4-2/h3-4H2,1-2H3,(H2,7,8,9).
What are the key properties of N-propanimidoylpropanamide?
N-propanimidoylpropanamide has a molecular weight of 128.17 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propanimidoylpropanamide is sourced from PubChem (CID 173088249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).