(E)-2-oxoethylideneurea

C3H4N2O2 — CID 15859944

IUPAC(E)-2-oxoethylideneurea
SMILESNC(=O)/N=C/C=O
InChIInChI=1S/C3H4N2O2/c4-3(7)5-1-2-6/h1-2H,(H2,4,7)/b5-1+
InChIKeyUURVPJVBLPEWQE-ORCRQEGFSA-N
MW100.08 g/mol
LogP-0.67
Rot. Bonds1

About (E)-2-oxoethylideneurea

(E)-2-oxoethylideneurea (PubChem CID 15859944) has the molecular formula C3H4N2O2 and a molecular weight of 100.08 g/mol. Its IUPAC name is (E)-2-oxoethylideneurea.

Molecular Properties

Compound Name(E)-2-oxoethylideneurea
PubChem CID15859944
Molecular FormulaC3H4N2O2
Molecular Weight100.08 g/mol
Exact Mass100.03
IUPAC Name(E)-2-oxoethylideneurea
SMILESNC(=O)/N=C/C=O
InChIInChI=1S/C3H4N2O2/c4-3(7)5-1-2-6/h1-2H,(H2,4,7)/b5-1+
InChIKeyUURVPJVBLPEWQE-ORCRQEGFSA-N
XLogP-0.67
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.08
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-[(2E)-2-carbamoyliminoethylidene]urea
CID 11286522
2-aminoethylideneurea
CID 123400317
2-oxopropylideneurea
CID 154176026
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
formamide;urea
CID 19591694
2-(oxiran-2-ylmethyl)prop-2-enylideneurea
CID 174335630
diamino(113C)methanone
CID 636363
sodium;carbamoyliminourea;hydride
CID 175072708
acetamide;formic acid
CID 19762194

Frequently Asked Questions

What is the IUPAC name of (E)-2-oxoethylideneurea?
The IUPAC name of (E)-2-oxoethylideneurea (CID 15859944) is (E)-2-oxoethylideneurea.
What is the SMILES notation for (E)-2-oxoethylideneurea?
The canonical SMILES for (E)-2-oxoethylideneurea is NC(=O)/N=C/C=O.
What is the InChIKey of (E)-2-oxoethylideneurea?
The InChIKey is UURVPJVBLPEWQE-ORCRQEGFSA-N. The full InChI is InChI=1S/C3H4N2O2/c4-3(7)5-1-2-6/h1-2H,(H2,4,7)/b5-1+.
What are the key properties of (E)-2-oxoethylideneurea?
(E)-2-oxoethylideneurea has a molecular weight of 100.08 g/mol, XLogP of -0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-oxoethylideneurea is sourced from PubChem (CID 15859944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).