N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide

C6H12N2O2 — CID 146416706

IUPACN-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide
SMILESCCC(=O)N/C(C)=N/OC
InChIInChI=1S/C6H12N2O2/c1-4-6(9)7-5(2)8-10-3/h4H2,1-3H3,(H,7,8,9)
InChIKeyHEXCBCJEAKJPQI-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.49
Rot. Bonds2

About N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide

N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide (PubChem CID 146416706) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide.

Molecular Properties

Compound NameN-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide
PubChem CID146416706
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide
SMILESCCC(=O)N/C(C)=N/OC
InChIInChI=1S/C6H12N2O2/c1-4-6(9)7-5(2)8-10-3/h4H2,1-3H3,(H,7,8,9)
InChIKeyHEXCBCJEAKJPQI-UHFFFAOYSA-N
XLogP0.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide?
The IUPAC name of N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide (CID 146416706) is N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide.
What is the SMILES notation for N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide?
The canonical SMILES for N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide is CCC(=O)N/C(C)=N/OC.
What is the InChIKey of N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide?
The InChIKey is HEXCBCJEAKJPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4-6(9)7-5(2)8-10-3/h4H2,1-3H3,(H,7,8,9).
What are the key properties of N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide?
N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide has a molecular weight of 144.17 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide is sourced from PubChem (CID 146416706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).