(1-amino-3-oxobutylidene)urea

C5H9N3O2 — CID 123425650

IUPAC(1-amino-3-oxobutylidene)urea
SMILESCC(=O)CC(N)=NC(N)=O
InChIInChI=1S/C5H9N3O2/c1-3(9)2-4(6)8-5(7)10/h2H2,1H3,(H4,6,7,8,10)
InChIKeyNLEGMNUAURKUTE-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.60
Rot. Bonds2

About (1-amino-3-oxobutylidene)urea

(1-amino-3-oxobutylidene)urea (PubChem CID 123425650) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is (1-amino-3-oxobutylidene)urea.

Molecular Properties

Compound Name(1-amino-3-oxobutylidene)urea
PubChem CID123425650
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name(1-amino-3-oxobutylidene)urea
SMILESCC(=O)CC(N)=NC(N)=O
InChIInChI=1S/C5H9N3O2/c1-3(9)2-4(6)8-5(7)10/h2H2,1H3,(H4,6,7,8,10)
InChIKeyNLEGMNUAURKUTE-UHFFFAOYSA-N
XLogP-0.60
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (1-amino-3-oxobutylidene)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-oxobutanimidamide
CID 23339865
Lithium pentane-2,4-dione
CID 86735745
azane;3-oxobutanamide
CID 172802770
3-oxobutanoic acid
CID 96
CID 87073525
CID 87073525
ethane;tris(pentane-2,4-dione)
CID 158826280
CID 159548628
CID 159548628
molybdenum(4+);tetrakis(pentane-2,4-dione)
CID 11705952
potassium pentane-2,4-dione
CID 19762724
barium(2+);pentane-2,4-dione
CID 23298949
CID 15855332
CID 15855332
nickel;pentane-2,4-dione
CID 158705791

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-oxobutylidene)urea?
The IUPAC name of (1-amino-3-oxobutylidene)urea (CID 123425650) is (1-amino-3-oxobutylidene)urea.
What is the SMILES notation for (1-amino-3-oxobutylidene)urea?
The canonical SMILES for (1-amino-3-oxobutylidene)urea is CC(=O)CC(N)=NC(N)=O.
What is the InChIKey of (1-amino-3-oxobutylidene)urea?
The InChIKey is NLEGMNUAURKUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-3(9)2-4(6)8-5(7)10/h2H2,1H3,(H4,6,7,8,10).
What are the key properties of (1-amino-3-oxobutylidene)urea?
(1-amino-3-oxobutylidene)urea has a molecular weight of 143.15 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-oxobutylidene)urea is sourced from PubChem (CID 123425650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).