ethoxy-oxo-(propan-2-ylamino)phosphanium

C5H13NO2P+ — CID 131710025

IUPACethoxy-oxo-(propan-2-ylamino)phosphanium
SMILESCCO[P+](=O)NC(C)C
InChIInChI=1S/C5H13NO2P/c1-4-8-9(7)6-5(2)3/h5H,4H2,1-3H3,(H,6,7)/q+1
InChIKeyXNHIBIXAFQYNOM-UHFFFAOYSA-N
MW150.14 g/mol
LogP1.68
Rot. Bonds4

About ethoxy-oxo-(propan-2-ylamino)phosphanium

ethoxy-oxo-(propan-2-ylamino)phosphanium (PubChem CID 131710025) has the molecular formula C5H13NO2P+ and a molecular weight of 150.14 g/mol. Its IUPAC name is ethoxy-oxo-(propan-2-ylamino)phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-(propan-2-ylamino)phosphanium
PubChem CID131710025
Molecular FormulaC5H13NO2P+
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Nameethoxy-oxo-(propan-2-ylamino)phosphanium
SMILESCCO[P+](=O)NC(C)C
InChIInChI=1S/C5H13NO2P/c1-4-8-9(7)6-5(2)3/h5H,4H2,1-3H3,(H,6,7)/q+1
InChIKeyXNHIBIXAFQYNOM-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-(propan-2-ylamino)phosphanium?
The IUPAC name of ethoxy-oxo-(propan-2-ylamino)phosphanium (CID 131710025) is ethoxy-oxo-(propan-2-ylamino)phosphanium.
What is the SMILES notation for ethoxy-oxo-(propan-2-ylamino)phosphanium?
The canonical SMILES for ethoxy-oxo-(propan-2-ylamino)phosphanium is CCO[P+](=O)NC(C)C.
What is the InChIKey of ethoxy-oxo-(propan-2-ylamino)phosphanium?
The InChIKey is XNHIBIXAFQYNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2P/c1-4-8-9(7)6-5(2)3/h5H,4H2,1-3H3,(H,6,7)/q+1.
What are the key properties of ethoxy-oxo-(propan-2-ylamino)phosphanium?
ethoxy-oxo-(propan-2-ylamino)phosphanium has a molecular weight of 150.14 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-(propan-2-ylamino)phosphanium is sourced from PubChem (CID 131710025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).