amino-oxido-oxophosphanium;butanamide

C4H11N2O3P — CID 174709936

IUPACamino-oxido-oxophosphanium;butanamide
SMILESCCCC(N)=O.N[P+](=O)[O-]
InChIInChI=1S/C4H9NO.H2NO2P/c1-2-3-4(5)6;1-4(2)3/h2-3H2,1H3,(H2,5,6);(H2,1,2,3)
InChIKeySCDZIZHDKVNBPC-UHFFFAOYSA-N
MW166.12 g/mol
LogP-0.77
Rot. Bonds2

About amino-oxido-oxophosphanium;butanamide

amino-oxido-oxophosphanium;butanamide (PubChem CID 174709936) has the molecular formula C4H11N2O3P and a molecular weight of 166.12 g/mol. Its IUPAC name is amino-oxido-oxophosphanium;butanamide.

Molecular Properties

Compound Nameamino-oxido-oxophosphanium;butanamide
PubChem CID174709936
Molecular FormulaC4H11N2O3P
Molecular Weight166.12 g/mol
Exact Mass166.05
IUPAC Nameamino-oxido-oxophosphanium;butanamide
SMILESCCCC(N)=O.N[P+](=O)[O-]
InChIInChI=1S/C4H9NO.H2NO2P/c1-2-3-4(5)6;1-4(2)3/h2-3H2,1H3,(H2,5,6);(H2,1,2,3)
InChIKeySCDZIZHDKVNBPC-UHFFFAOYSA-N
XLogP-0.77
TPSA109.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butanamide
CID 141414886
butanamide;dihydrobromide
CID 140988378
CID 158833027
CID 158833027
potassium;butanamide;hydride
CID 174374590
butanamide;dichlorozirconium
CID 175565621
CID 175543701
CID 175543701
butanamide;hexan-2-one;propane
CID 145305673
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
tetradecanamide
CID 175692014
acetamide;pentanamide
CID 158041283
CID 87899207
CID 87899207

Frequently Asked Questions

What is the IUPAC name of amino-oxido-oxophosphanium;butanamide?
The IUPAC name of amino-oxido-oxophosphanium;butanamide (CID 174709936) is amino-oxido-oxophosphanium;butanamide.
What is the SMILES notation for amino-oxido-oxophosphanium;butanamide?
The canonical SMILES for amino-oxido-oxophosphanium;butanamide is CCCC(N)=O.N[P+](=O)[O-].
What is the InChIKey of amino-oxido-oxophosphanium;butanamide?
The InChIKey is SCDZIZHDKVNBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.H2NO2P/c1-2-3-4(5)6;1-4(2)3/h2-3H2,1H3,(H2,5,6);(H2,1,2,3).
What are the key properties of amino-oxido-oxophosphanium;butanamide?
amino-oxido-oxophosphanium;butanamide has a molecular weight of 166.12 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-oxido-oxophosphanium;butanamide is sourced from PubChem (CID 174709936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).