(E)-[(2E)-2-carbamoyliminoethylidene]urea

C4H6N4O2 — CID 11286522

IUPAC(E)-[(2E)-2-carbamoyliminoethylidene]urea
SMILESNC(=O)/N=C/C=N/C(N)=O
InChIInChI=1S/C4H6N4O2/c5-3(9)7-1-2-8-4(6)10/h1-2H,(H2,5,9)(H2,6,10)/b7-1+,8-2+
InChIKeyZDEBUCYBYBXOSE-FACPPWRESA-N
MW142.12 g/mol
LogP-0.71
Rot. Bonds1

About (E)-[(2E)-2-carbamoyliminoethylidene]urea

(E)-[(2E)-2-carbamoyliminoethylidene]urea (PubChem CID 11286522) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is (E)-[(2E)-2-carbamoyliminoethylidene]urea.

Molecular Properties

Compound Name(E)-[(2E)-2-carbamoyliminoethylidene]urea
PubChem CID11286522
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name(E)-[(2E)-2-carbamoyliminoethylidene]urea
SMILESNC(=O)/N=C/C=N/C(N)=O
InChIInChI=1S/C4H6N4O2/c5-3(9)7-1-2-8-4(6)10/h1-2H,(H2,5,9)(H2,6,10)/b7-1+,8-2+
InChIKeyZDEBUCYBYBXOSE-FACPPWRESA-N
XLogP-0.71
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-oxoethylideneurea
CID 15859944
2-oxopropylideneurea
CID 154176026
2-aminoethylideneurea
CID 123400317
methyl N-carbamoylmethanimidate
CID 57288886
ethylideneurea;sulfurous acid
CID 174973219
(3-amino-2-bromoprop-2-enylidene)urea
CID 76736189
(E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea
CID 58368919
diamino(113C)methanone
CID 636363
sodium;carbamoyliminourea;hydride
CID 175072708
ethylideneurea;undec-10-enoic acid
CID 159342465
ethylideneurea;N-methylprop-2-enamide
CID 159487096
ethyl 3-carbamoylimino-2-methoxypropanoate
CID 57059916

Frequently Asked Questions

What is the IUPAC name of (E)-[(2E)-2-carbamoyliminoethylidene]urea?
The IUPAC name of (E)-[(2E)-2-carbamoyliminoethylidene]urea (CID 11286522) is (E)-[(2E)-2-carbamoyliminoethylidene]urea.
What is the SMILES notation for (E)-[(2E)-2-carbamoyliminoethylidene]urea?
The canonical SMILES for (E)-[(2E)-2-carbamoyliminoethylidene]urea is NC(=O)/N=C/C=N/C(N)=O.
What is the InChIKey of (E)-[(2E)-2-carbamoyliminoethylidene]urea?
The InChIKey is ZDEBUCYBYBXOSE-FACPPWRESA-N. The full InChI is InChI=1S/C4H6N4O2/c5-3(9)7-1-2-8-4(6)10/h1-2H,(H2,5,9)(H2,6,10)/b7-1+,8-2+.
What are the key properties of (E)-[(2E)-2-carbamoyliminoethylidene]urea?
(E)-[(2E)-2-carbamoyliminoethylidene]urea has a molecular weight of 142.12 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(2E)-2-carbamoyliminoethylidene]urea is sourced from PubChem (CID 11286522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).