(3E)-3-carbamoylimino-1,1-dimethylurea

C4H8N4O2 — CID 22448496

IUPAC(3E)-3-carbamoylimino-1,1-dimethylurea
SMILESCN(C)C(=O)/N=N/C(N)=O
InChIInChI=1S/C4H8N4O2/c1-8(2)4(10)7-6-3(5)9/h1-2H3,(H2,5,9)/b7-6+
InChIKeyRYDQGTXFAHXOCP-VOTSOKGWSA-N
MW144.13 g/mol
LogP0.20
Rot. Bonds

About (3E)-3-carbamoylimino-1,1-dimethylurea

(3E)-3-carbamoylimino-1,1-dimethylurea (PubChem CID 22448496) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is (3E)-3-carbamoylimino-1,1-dimethylurea.

Molecular Properties

Compound Name(3E)-3-carbamoylimino-1,1-dimethylurea
PubChem CID22448496
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC Name(3E)-3-carbamoylimino-1,1-dimethylurea
SMILESCN(C)C(=O)/N=N/C(N)=O
InChIInChI=1S/C4H8N4O2/c1-8(2)4(10)7-6-3(5)9/h1-2H3,(H2,5,9)/b7-6+
InChIKeyRYDQGTXFAHXOCP-VOTSOKGWSA-N
XLogP0.20
TPSA88.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-carbamoylimino-1,1-dimethylurea?
The IUPAC name of (3E)-3-carbamoylimino-1,1-dimethylurea (CID 22448496) is (3E)-3-carbamoylimino-1,1-dimethylurea.
What is the SMILES notation for (3E)-3-carbamoylimino-1,1-dimethylurea?
The canonical SMILES for (3E)-3-carbamoylimino-1,1-dimethylurea is CN(C)C(=O)/N=N/C(N)=O.
What is the InChIKey of (3E)-3-carbamoylimino-1,1-dimethylurea?
The InChIKey is RYDQGTXFAHXOCP-VOTSOKGWSA-N. The full InChI is InChI=1S/C4H8N4O2/c1-8(2)4(10)7-6-3(5)9/h1-2H3,(H2,5,9)/b7-6+.
What are the key properties of (3E)-3-carbamoylimino-1,1-dimethylurea?
(3E)-3-carbamoylimino-1,1-dimethylurea has a molecular weight of 144.13 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-carbamoylimino-1,1-dimethylurea is sourced from PubChem (CID 22448496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).