(1E)-1-carbamoylimino-3-methylurea

C3H6N4O2 — CID 6480203

IUPAC(1E)-1-carbamoylimino-3-methylurea
SMILESCNC(=O)/N=N/C(N)=O
InChIInChI=1S/C3H6N4O2/c1-5-3(9)7-6-2(4)8/h1H3,(H2,4,8)(H,5,9)/b7-6+
InChIKeyOCBMYUUWIZCEIS-VOTSOKGWSA-N
MW130.11 g/mol
LogP-0.14
Rot. Bonds

About (1E)-1-carbamoylimino-3-methylurea

(1E)-1-carbamoylimino-3-methylurea (PubChem CID 6480203) has the molecular formula C3H6N4O2 and a molecular weight of 130.11 g/mol. Its IUPAC name is (1E)-1-carbamoylimino-3-methylurea.

Molecular Properties

Compound Name(1E)-1-carbamoylimino-3-methylurea
PubChem CID6480203
Molecular FormulaC3H6N4O2
Molecular Weight130.11 g/mol
Exact Mass130.05
IUPAC Name(1E)-1-carbamoylimino-3-methylurea
SMILESCNC(=O)/N=N/C(N)=O
InChIInChI=1S/C3H6N4O2/c1-5-3(9)7-6-2(4)8/h1H3,(H2,4,8)(H,5,9)/b7-6+
InChIKeyOCBMYUUWIZCEIS-VOTSOKGWSA-N
XLogP-0.14
TPSA96.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.11
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (1E)-1-carbamoylimino-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E)-1-carbamoylimino-3-methylurea?
The IUPAC name of (1E)-1-carbamoylimino-3-methylurea (CID 6480203) is (1E)-1-carbamoylimino-3-methylurea.
What is the SMILES notation for (1E)-1-carbamoylimino-3-methylurea?
The canonical SMILES for (1E)-1-carbamoylimino-3-methylurea is CNC(=O)/N=N/C(N)=O.
What is the InChIKey of (1E)-1-carbamoylimino-3-methylurea?
The InChIKey is OCBMYUUWIZCEIS-VOTSOKGWSA-N. The full InChI is InChI=1S/C3H6N4O2/c1-5-3(9)7-6-2(4)8/h1H3,(H2,4,8)(H,5,9)/b7-6+.
What are the key properties of (1E)-1-carbamoylimino-3-methylurea?
(1E)-1-carbamoylimino-3-methylurea has a molecular weight of 130.11 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-carbamoylimino-3-methylurea is sourced from PubChem (CID 6480203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).