hydroxy-methoxy-oxophosphanium;propanamide

C4H11NO4P+ — CID 158251379

IUPAChydroxy-methoxy-oxophosphanium;propanamide
SMILESCCC(N)=O.CO[P+](=O)O
InChIInChI=1S/C3H7NO.CH3O3P/c1-2-3(4)5;1-4-5(2)3/h2H2,1H3,(H2,4,5);1H3/p+1
InChIKeySUKKCGSGVNUMQJ-UHFFFAOYSA-O
MW168.11 g/mol
LogP0.16
Rot. Bonds2

About hydroxy-methoxy-oxophosphanium;propanamide

hydroxy-methoxy-oxophosphanium;propanamide (PubChem CID 158251379) has the molecular formula C4H11NO4P+ and a molecular weight of 168.11 g/mol. Its IUPAC name is hydroxy-methoxy-oxophosphanium;propanamide.

Molecular Properties

Compound Namehydroxy-methoxy-oxophosphanium;propanamide
PubChem CID158251379
Molecular FormulaC4H11NO4P+
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Namehydroxy-methoxy-oxophosphanium;propanamide
SMILESCCC(N)=O.CO[P+](=O)O
InChIInChI=1S/C3H7NO.CH3O3P/c1-2-3(4)5;1-4-5(2)3/h2H2,1H3,(H2,4,5);1H3/p+1
InChIKeySUKKCGSGVNUMQJ-UHFFFAOYSA-O
XLogP0.16
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 50.16
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

methane;propanamide
CID 160666730
phosphoric acid;propanamide
CID 175475634
pentakis(decane);hydroxy-methoxy-oxophosphanium
CID 173118526
hydroxy-methoxy-oxophosphanium;tetradecane
CID 87604776
guanidine;propanamide
CID 158320139
propanamide;hydrate;hydrochloride
CID 19791604
cyclohexane;propanamide
CID 143816223
propanamide;trichloroalumane
CID 174958610
propanamide;propan-1-amine
CID 118437692
propanamide;bis(propan-1-amine)
CID 158390031
propanamide;thionyl dichloride
CID 161371403
N-ethylethanamine;propanamide
CID 172821181

Frequently Asked Questions

What is the IUPAC name of hydroxy-methoxy-oxophosphanium;propanamide?
The IUPAC name of hydroxy-methoxy-oxophosphanium;propanamide (CID 158251379) is hydroxy-methoxy-oxophosphanium;propanamide.
What is the SMILES notation for hydroxy-methoxy-oxophosphanium;propanamide?
The canonical SMILES for hydroxy-methoxy-oxophosphanium;propanamide is CCC(N)=O.CO[P+](=O)O.
What is the InChIKey of hydroxy-methoxy-oxophosphanium;propanamide?
The InChIKey is SUKKCGSGVNUMQJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7NO.CH3O3P/c1-2-3(4)5;1-4-5(2)3/h2H2,1H3,(H2,4,5);1H3/p+1.
What are the key properties of hydroxy-methoxy-oxophosphanium;propanamide?
hydroxy-methoxy-oxophosphanium;propanamide has a molecular weight of 168.11 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methoxy-oxophosphanium;propanamide is sourced from PubChem (CID 158251379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).