azane;3-oxobutanamide

C4H10N2O2 — CID 172802770

IUPACazane;3-oxobutanamide
SMILESCC(=O)CC(N)=O.N
InChIInChI=1S/C4H7NO2.H3N/c1-3(6)2-4(5)7;/h2H2,1H3,(H2,5,7);1H3
InChIKeyRCBVKHVDFMLDNI-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.39
Rot. Bonds2

About azane;3-oxobutanamide

azane;3-oxobutanamide (PubChem CID 172802770) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is azane;3-oxobutanamide.

Molecular Properties

Compound Nameazane;3-oxobutanamide
PubChem CID172802770
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Nameazane;3-oxobutanamide
SMILESCC(=O)CC(N)=O.N
InChIInChI=1S/C4H7NO2.H3N/c1-3(6)2-4(5)7;/h2H2,1H3,(H2,5,7);1H3
InChIKeyRCBVKHVDFMLDNI-UHFFFAOYSA-N
XLogP-0.39
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Lithium pentane-2,4-dione
CID 86735745
propanediamide
CID 7911
2,2-dimethylheptane;bis(3-oxobutanamide)
CID 160637509
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
barium(2+);pentane-2,4-dione
CID 23298949
potassium pentane-2,4-dione
CID 19762724
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 azane;3-oxobutanamide?
The IUPAC name of azane;3-oxobutanamide (CID 172802770) is azane;3-oxobutanamide.
What is the SMILES notation for azane;3-oxobutanamide?
The canonical SMILES for azane;3-oxobutanamide is CC(=O)CC(N)=O.N.
What is the InChIKey of azane;3-oxobutanamide?
The InChIKey is RCBVKHVDFMLDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.H3N/c1-3(6)2-4(5)7;/h2H2,1H3,(H2,5,7);1H3.
What are the key properties of azane;3-oxobutanamide?
azane;3-oxobutanamide has a molecular weight of 118.14 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-oxobutanamide is sourced from PubChem (CID 172802770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).