[(E)-ethylideneamino]urea

C3H7N3O — CID 5381348

IUPAC[(E)-ethylideneamino]urea
SMILESC/C=N/NC(N)=O
InChIInChI=1S/C3H7N3O/c1-2-5-6-3(4)7/h2H,1H3,(H3,4,6,7)/b5-2+
InChIKeyIUNNCDSJWDQYPW-GORDUTHDSA-N
MW101.11 g/mol
LogP-0.34
Rot. Bonds1

About [(E)-ethylideneamino]urea

[(E)-ethylideneamino]urea (PubChem CID 5381348) has the molecular formula C3H7N3O and a molecular weight of 101.11 g/mol. Its IUPAC name is [(E)-ethylideneamino]urea.

Molecular Properties

Compound Name[(E)-ethylideneamino]urea
PubChem CID5381348
Molecular FormulaC3H7N3O
Molecular Weight101.11 g/mol
Exact Mass101.06
IUPAC Name[(E)-ethylideneamino]urea
SMILESC/C=N/NC(N)=O
InChIInChI=1S/C3H7N3O/c1-2-5-6-3(4)7/h2H,1H3,(H3,4,6,7)/b5-2+
InChIKeyIUNNCDSJWDQYPW-GORDUTHDSA-N
XLogP-0.34
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-ethylideneamino]urea
CID 5365245
(Ethylideneamino)urea
CID 271884
Glyoxal disemicarbazone
CID 313149
Hydrazinecarboxamide, 2-butylidene-
CID 548232
Propanal semicarbazone
CID 76175125
1h-1,2,4,5-Tetrazepin-3-one
CID 129705955
[(E)-2,2-difluoroethylideneamino]urea
CID 55290636
Glyoxal semicarbosazone
CID 6143044
Valeraldehyde, semicarbazone
CID 9601689
Butyraldehyde, semicarbazone
CID 9601714
1-(Ethylideneamino)-3-iminourea
CID 54056082
[(E)-propylideneamino]urea
CID 55208187

Frequently Asked Questions

What is the IUPAC name of [(E)-ethylideneamino]urea?
The IUPAC name of [(E)-ethylideneamino]urea (CID 5381348) is [(E)-ethylideneamino]urea.
What is the SMILES notation for [(E)-ethylideneamino]urea?
The canonical SMILES for [(E)-ethylideneamino]urea is C/C=N/NC(N)=O.
What is the InChIKey of [(E)-ethylideneamino]urea?
The InChIKey is IUNNCDSJWDQYPW-GORDUTHDSA-N. The full InChI is InChI=1S/C3H7N3O/c1-2-5-6-3(4)7/h2H,1H3,(H3,4,6,7)/b5-2+.
What are the key properties of [(E)-ethylideneamino]urea?
[(E)-ethylideneamino]urea has a molecular weight of 101.11 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-ethylideneamino]urea is sourced from PubChem (CID 5381348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).