N-(diaminomethylidene)-2-methoxyacetamide

C4H9N3O2 — CID 55284547

IUPACN-(diaminomethylidene)-2-methoxyacetamide
SMILESCOCC(=O)N=C(N)N
InChIInChI=1S/C4H9N3O2/c1-9-2-3(8)7-4(5)6/h2H2,1H3,(H4,5,6,7,8)
InChIKeyJUHBWEYTEBTVJO-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.57
Rot. Bonds2

About N-(diaminomethylidene)-2-methoxyacetamide

N-(diaminomethylidene)-2-methoxyacetamide (PubChem CID 55284547) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-methoxyacetamide
PubChem CID55284547
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC NameN-(diaminomethylidene)-2-methoxyacetamide
SMILESCOCC(=O)N=C(N)N
InChIInChI=1S/C4H9N3O2/c1-9-2-3(8)7-4(5)6/h2H2,1H3,(H4,5,6,7,8)
InChIKeyJUHBWEYTEBTVJO-UHFFFAOYSA-N
XLogP-1.57
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.57
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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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-methoxyacetamide?
The IUPAC name of N-(diaminomethylidene)-2-methoxyacetamide (CID 55284547) is N-(diaminomethylidene)-2-methoxyacetamide.
What is the SMILES notation for N-(diaminomethylidene)-2-methoxyacetamide?
The canonical SMILES for N-(diaminomethylidene)-2-methoxyacetamide is COCC(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-2-methoxyacetamide?
The InChIKey is JUHBWEYTEBTVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-9-2-3(8)7-4(5)6/h2H2,1H3,(H4,5,6,7,8).
What are the key properties of N-(diaminomethylidene)-2-methoxyacetamide?
N-(diaminomethylidene)-2-methoxyacetamide has a molecular weight of 131.13 g/mol, XLogP of -1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-methoxyacetamide is sourced from PubChem (CID 55284547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).