2-(methylideneamino)-2-methyliminoacetamide

C4H7N3O — CID 144793712

IUPAC2-(methylideneamino)-2-methyliminoacetamide
SMILESC=N/C(=N\C)C(N)=O
InChIInChI=1S/C4H7N3O/c1-6-4(7-2)3(5)8/h1H2,2H3,(H2,5,8)/b7-4-
InChIKeyRAZROBKLZFCYIN-DAXSKMNVSA-N
MW113.12 g/mol
LogP-0.80
Rot. Bonds

About 2-(methylideneamino)-2-methyliminoacetamide

2-(methylideneamino)-2-methyliminoacetamide (PubChem CID 144793712) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-(methylideneamino)-2-methyliminoacetamide.

Molecular Properties

Compound Name2-(methylideneamino)-2-methyliminoacetamide
PubChem CID144793712
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name2-(methylideneamino)-2-methyliminoacetamide
SMILESC=N/C(=N\C)C(N)=O
InChIInChI=1S/C4H7N3O/c1-6-4(7-2)3(5)8/h1H2,2H3,(H2,5,8)/b7-4-
InChIKeyRAZROBKLZFCYIN-DAXSKMNVSA-N
XLogP-0.80
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.80
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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Related Compounds

methyl 2-(methylideneamino)-2-methyliminoacetate
CID 144794010
ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide
CID 144623229
N'-methylcarbamimidoyl fluoride
CID 141017236
methyl 2-amino-N-methyl-2-oxoethanimidate
CID 167187226
(2E)-2-(methyliminomethyl)penta-2,4-dienamide
CID 143715674
N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride
CID 175633595
(Z)-2-methyliminopent-3-enamide
CID 126689701
2-methylprop-2-enamide;hydrate
CID 88749193
2-aminoprop-2-enamide
CID 3332061
2-aminoacetic acid;2-methylguanidine
CID 175416544
2-[[(Z)-4-amino-2-(methylideneamino)-4-methyliminobut-2-enoyl]amino]acetic acid
CID 178031577
tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate
CID 137204261

Frequently Asked Questions

What is the IUPAC name of 2-(methylideneamino)-2-methyliminoacetamide?
The IUPAC name of 2-(methylideneamino)-2-methyliminoacetamide (CID 144793712) is 2-(methylideneamino)-2-methyliminoacetamide.
What is the SMILES notation for 2-(methylideneamino)-2-methyliminoacetamide?
The canonical SMILES for 2-(methylideneamino)-2-methyliminoacetamide is C=N/C(=N\C)C(N)=O.
What is the InChIKey of 2-(methylideneamino)-2-methyliminoacetamide?
The InChIKey is RAZROBKLZFCYIN-DAXSKMNVSA-N. The full InChI is InChI=1S/C4H7N3O/c1-6-4(7-2)3(5)8/h1H2,2H3,(H2,5,8)/b7-4-.
What are the key properties of 2-(methylideneamino)-2-methyliminoacetamide?
2-(methylideneamino)-2-methyliminoacetamide has a molecular weight of 113.12 g/mol, XLogP of -0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylideneamino)-2-methyliminoacetamide is sourced from PubChem (CID 144793712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).