N-ethoxy-3-phosphorosooxypropan-1-imine

C5H10NO3P — CID 140555804

IUPACN-ethoxy-3-phosphorosooxypropan-1-imine
SMILESCCON=CCCOP=O
InChIInChI=1S/C5H10NO3P/c1-2-8-6-4-3-5-9-10-7/h4H,2-3,5H2,1H3
InChIKeyYHCGGIJEEQSXKF-UHFFFAOYSA-N
MW163.11 g/mol
LogP1.62
Rot. Bonds6

About N-ethoxy-3-phosphorosooxypropan-1-imine

N-ethoxy-3-phosphorosooxypropan-1-imine (PubChem CID 140555804) has the molecular formula C5H10NO3P and a molecular weight of 163.11 g/mol. Its IUPAC name is N-ethoxy-3-phosphorosooxypropan-1-imine.

Molecular Properties

Compound NameN-ethoxy-3-phosphorosooxypropan-1-imine
PubChem CID140555804
Molecular FormulaC5H10NO3P
Molecular Weight163.11 g/mol
Exact Mass163.04
IUPAC NameN-ethoxy-3-phosphorosooxypropan-1-imine
SMILESCCON=CCCOP=O
InChIInChI=1S/C5H10NO3P/c1-2-8-6-4-3-5-9-10-7/h4H,2-3,5H2,1H3
InChIKeyYHCGGIJEEQSXKF-UHFFFAOYSA-N
XLogP1.62
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.11
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-phosphorosooxypropan-1-imine?
The IUPAC name of N-ethoxy-3-phosphorosooxypropan-1-imine (CID 140555804) is N-ethoxy-3-phosphorosooxypropan-1-imine.
What is the SMILES notation for N-ethoxy-3-phosphorosooxypropan-1-imine?
The canonical SMILES for N-ethoxy-3-phosphorosooxypropan-1-imine is CCON=CCCOP=O.
What is the InChIKey of N-ethoxy-3-phosphorosooxypropan-1-imine?
The InChIKey is YHCGGIJEEQSXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO3P/c1-2-8-6-4-3-5-9-10-7/h4H,2-3,5H2,1H3.
What are the key properties of N-ethoxy-3-phosphorosooxypropan-1-imine?
N-ethoxy-3-phosphorosooxypropan-1-imine has a molecular weight of 163.11 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-phosphorosooxypropan-1-imine is sourced from PubChem (CID 140555804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).