butanoyl(oxido)azanium

C4H9NO2 — CID 141206712

IUPACbutanoyl(oxido)azanium
SMILESCCCC(=O)[NH2+][O-]
InChIInChI=1S/C4H9NO2/c1-2-3-4(6)5-7/h2-3,5H2,1H3
InChIKeyYGRQNXPOAIJGIO-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.63
Rot. Bonds2

About butanoyl(oxido)azanium

butanoyl(oxido)azanium (PubChem CID 141206712) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is butanoyl(oxido)azanium.

Molecular Properties

Compound Namebutanoyl(oxido)azanium
PubChem CID141206712
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Namebutanoyl(oxido)azanium
SMILESCCCC(=O)[NH2+][O-]
InChIInChI=1S/C4H9NO2/c1-2-3-4(6)5-7/h2-3,5H2,1H3
InChIKeyYGRQNXPOAIJGIO-UHFFFAOYSA-N
XLogP-0.63
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butanoate;titanium(2+);acetate
CID 87845450
triazanium;butanoate;ethanolate
CID 141132655
tetrapotassium;butanoate
CID 140982885
silver butanoate
CID 14944495
butanoate;bis(rhodium(3+))
CID 173415846
strontium butanoate
CID 19035288
butanoate;ytterbium(2+)
CID 88777454
butanoate;tin(4+)
CID 159447903
4,5-dipropyloct-4-ene-3,6-dione
CID 142732258
potassium butanoate
CID 23677461
magnesium butanoate
CID 6453218
gadolinium;hexane-2,3-dione
CID 87787502

Frequently Asked Questions

What is the IUPAC name of butanoyl(oxido)azanium?
The IUPAC name of butanoyl(oxido)azanium (CID 141206712) is butanoyl(oxido)azanium.
What is the SMILES notation for butanoyl(oxido)azanium?
The canonical SMILES for butanoyl(oxido)azanium is CCCC(=O)[NH2+][O-].
What is the InChIKey of butanoyl(oxido)azanium?
The InChIKey is YGRQNXPOAIJGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-2-3-4(6)5-7/h2-3,5H2,1H3.
What are the key properties of butanoyl(oxido)azanium?
butanoyl(oxido)azanium has a molecular weight of 103.12 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanoyl(oxido)azanium is sourced from PubChem (CID 141206712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).