2-oxopropylideneurea

C4H6N2O2 — CID 154176026

IUPAC2-oxopropylideneurea
SMILESCC(=O)C=NC(N)=O
InChIInChI=1S/C4H6N2O2/c1-3(7)2-6-4(5)8/h2H,1H3,(H2,5,8)
InChIKeyDXDLIDGTUQVWIR-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.28
Rot. Bonds1

About 2-oxopropylideneurea

2-oxopropylideneurea (PubChem CID 154176026) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2-oxopropylideneurea.

Molecular Properties

Compound Name2-oxopropylideneurea
PubChem CID154176026
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name2-oxopropylideneurea
SMILESCC(=O)C=NC(N)=O
InChIInChI=1S/C4H6N2O2/c1-3(7)2-6-4(5)8/h2H,1H3,(H2,5,8)
InChIKeyDXDLIDGTUQVWIR-UHFFFAOYSA-N
XLogP-0.28
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-[(2E)-2-carbamoyliminoethylidene]urea
CID 11286522
N'-[(Z)-2-oxopropylideneamino]ethanimidamide
CID 123921261
ethylideneurea;sulfurous acid
CID 174973219
(2-acetyl-4,4,4-trifluoro-3-hydroxybut-2-enylidene)urea
CID 137200138
[(E)-2-oxopropylideneamino]urea
CID 13238217
(3-amino-2-bromoprop-2-enylidene)urea
CID 76736189
(E)-[(E)-3-amino-2-bromoprop-2-enylidene]urea
CID 58368919
methyl N-carbamoylmethanimidate
CID 57288886
[(E)-2-oxopropylideneamino] acetate
CID 88532045
(E)-2-oxoethylideneurea
CID 15859944
acetamide
CID 139024037
2-aminoethylideneurea
CID 123400317

Frequently Asked Questions

What is the IUPAC name of 2-oxopropylideneurea?
The IUPAC name of 2-oxopropylideneurea (CID 154176026) is 2-oxopropylideneurea.
What is the SMILES notation for 2-oxopropylideneurea?
The canonical SMILES for 2-oxopropylideneurea is CC(=O)C=NC(N)=O.
What is the InChIKey of 2-oxopropylideneurea?
The InChIKey is DXDLIDGTUQVWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-3(7)2-6-4(5)8/h2H,1H3,(H2,5,8).
What are the key properties of 2-oxopropylideneurea?
2-oxopropylideneurea has a molecular weight of 114.10 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropylideneurea is sourced from PubChem (CID 154176026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).