[(E)-2-oxobutylideneamino]urea

C5H9N3O2 — CID 55288593

IUPAC[(E)-2-oxobutylideneamino]urea
SMILESCCC(=O)/C=N/NC(N)=O
InChIInChI=1S/C5H9N3O2/c1-2-4(9)3-7-8-5(6)10/h3H,2H2,1H3,(H3,6,8,10)/b7-3+
InChIKeySKMCOTXWVIAPHG-XVNBXDOJSA-N
MW143.15 g/mol
LogP-0.38
Rot. Bonds3

About [(E)-2-oxobutylideneamino]urea

[(E)-2-oxobutylideneamino]urea (PubChem CID 55288593) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is [(E)-2-oxobutylideneamino]urea.

Molecular Properties

Compound Name[(E)-2-oxobutylideneamino]urea
PubChem CID55288593
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name[(E)-2-oxobutylideneamino]urea
SMILESCCC(=O)/C=N/NC(N)=O
InChIInChI=1S/C5H9N3O2/c1-2-4(9)3-7-8-5(6)10/h3H,2H2,1H3,(H3,6,8,10)/b7-3+
InChIKeySKMCOTXWVIAPHG-XVNBXDOJSA-N
XLogP-0.38
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(E)-2-oxopropylideneamino]urea
CID 13238217
[(Z)-[(2E)-2-benzylidenebutylidene]amino]urea
CID 6288454
[(E)-[(E)-3-methylpent-2-enylidene]amino]urea
CID 50989810
[(E)-2-chloroprop-2-enylideneamino]urea
CID 55288977
[[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea
CID 71396195
4-(acetylhydrazinylidene)-3-oxobutanoic acid
CID 141163913
ethyl (Z)-3-[(E)-(carbamoylhydrazinylidene)methyl]-4,4,4-trifluorobut-2-enoate
CID 59939867
[(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea
CID 138525483
[(Z)-[(Z)-but-2-enylidene]amino]urea
CID 92532250
4-(carbamoylhydrazinylidene)-2,3-dichlorobut-2-enoate
CID 7004817
(5E)-5-(carbamoylhydrazinylidene)pentanoic acid
CID 119097520
[[(E)-dec-2-enylidene]amino]urea
CID 165430179

Frequently Asked Questions

What is the IUPAC name of [(E)-2-oxobutylideneamino]urea?
The IUPAC name of [(E)-2-oxobutylideneamino]urea (CID 55288593) is [(E)-2-oxobutylideneamino]urea.
What is the SMILES notation for [(E)-2-oxobutylideneamino]urea?
The canonical SMILES for [(E)-2-oxobutylideneamino]urea is CCC(=O)/C=N/NC(N)=O.
What is the InChIKey of [(E)-2-oxobutylideneamino]urea?
The InChIKey is SKMCOTXWVIAPHG-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-2-4(9)3-7-8-5(6)10/h3H,2H2,1H3,(H3,6,8,10)/b7-3+.
What are the key properties of [(E)-2-oxobutylideneamino]urea?
[(E)-2-oxobutylideneamino]urea has a molecular weight of 143.15 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-oxobutylideneamino]urea is sourced from PubChem (CID 55288593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).