1-acetamido-1-methylurea

C4H9N3O2 — CID 126993036

IUPAC1-acetamido-1-methylurea
SMILESCC(=O)NN(C)C(N)=O
InChIInChI=1S/C4H9N3O2/c1-3(8)6-7(2)4(5)9/h1-2H3,(H2,5,9)(H,6,8)
InChIKeyDIQCHPZVGGIQBS-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.95
Rot. Bonds

About 1-acetamido-1-methylurea

1-acetamido-1-methylurea (PubChem CID 126993036) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is 1-acetamido-1-methylurea.

Molecular Properties

Compound Name1-acetamido-1-methylurea
PubChem CID126993036
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Name1-acetamido-1-methylurea
SMILESCC(=O)NN(C)C(N)=O
InChIInChI=1S/C4H9N3O2/c1-3(8)6-7(2)4(5)9/h1-2H3,(H2,5,9)(H,6,8)
InChIKeyDIQCHPZVGGIQBS-UHFFFAOYSA-N
XLogP-0.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-1-methylurea?
The IUPAC name of 1-acetamido-1-methylurea (CID 126993036) is 1-acetamido-1-methylurea.
What is the SMILES notation for 1-acetamido-1-methylurea?
The canonical SMILES for 1-acetamido-1-methylurea is CC(=O)NN(C)C(N)=O.
What is the InChIKey of 1-acetamido-1-methylurea?
The InChIKey is DIQCHPZVGGIQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-3(8)6-7(2)4(5)9/h1-2H3,(H2,5,9)(H,6,8).
What are the key properties of 1-acetamido-1-methylurea?
1-acetamido-1-methylurea has a molecular weight of 131.13 g/mol, XLogP of -0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-1-methylurea is sourced from PubChem (CID 126993036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).