1-aminopropan-2-one;aminourea

C4H12N4O2 — CID 157197448

IUPAC1-aminopropan-2-one;aminourea
SMILESCC(=O)CN.NNC(N)=O
InChIInChI=1S/C3H7NO.CH5N3O/c1-3(5)2-4;2-1(5)4-3/h2,4H2,1H3;3H2,(H3,2,4,5)
InChIKeyAQKIMTGYVRYYBL-UHFFFAOYSA-N
MW148.17 g/mol
LogP-1.94
Rot. Bonds1

About 1-aminopropan-2-one;aminourea

1-aminopropan-2-one;aminourea (PubChem CID 157197448) has the molecular formula C4H12N4O2 and a molecular weight of 148.17 g/mol. Its IUPAC name is 1-aminopropan-2-one;aminourea.

Molecular Properties

Compound Name1-aminopropan-2-one;aminourea
PubChem CID157197448
Molecular FormulaC4H12N4O2
Molecular Weight148.17 g/mol
Exact Mass148.10
IUPAC Name1-aminopropan-2-one;aminourea
SMILESCC(=O)CN.NNC(N)=O
InChIInChI=1S/C3H7NO.CH5N3O/c1-3(5)2-4;2-1(5)4-3/h2,4H2,1H3;3H2,(H3,2,4,5)
InChIKeyAQKIMTGYVRYYBL-UHFFFAOYSA-N
XLogP-1.94
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentane-2,4-dione;titanium;tetrahydrate
CID 87923994
Lithium pentane-2,4-dione
CID 86735745
azane;3-oxobutanamide
CID 172802770
CID 87073525
CID 87073525
CID 159548628
CID 159548628
ethane;tris(pentane-2,4-dione)
CID 158826280
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
silver pentane-2,4-dione
CID 21252539

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-one;aminourea?
The IUPAC name of 1-aminopropan-2-one;aminourea (CID 157197448) is 1-aminopropan-2-one;aminourea.
What is the SMILES notation for 1-aminopropan-2-one;aminourea?
The canonical SMILES for 1-aminopropan-2-one;aminourea is CC(=O)CN.NNC(N)=O.
What is the InChIKey of 1-aminopropan-2-one;aminourea?
The InChIKey is AQKIMTGYVRYYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.CH5N3O/c1-3(5)2-4;2-1(5)4-3/h2,4H2,1H3;3H2,(H3,2,4,5).
What are the key properties of 1-aminopropan-2-one;aminourea?
1-aminopropan-2-one;aminourea has a molecular weight of 148.17 g/mol, XLogP of -1.94, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-one;aminourea is sourced from PubChem (CID 157197448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).