[azanylidyne(propoxy)-λ5-phosphanyl] acetate

C5H10NO3P — CID 19862341

IUPAC[azanylidyne(propoxy)-λ5-phosphanyl] acetate
SMILESCCCOP(#N)OC(C)=O
InChIInChI=1S/C5H10NO3P/c1-3-4-8-10(6)9-5(2)7/h3-4H2,1-2H3
InChIKeyJFGAZXMJBXBSFR-UHFFFAOYSA-N
MW163.11 g/mol
LogP1.77
Rot. Bonds2

About [azanylidyne(propoxy)-λ5-phosphanyl] acetate

[azanylidyne(propoxy)-λ5-phosphanyl] acetate (PubChem CID 19862341) has the molecular formula C5H10NO3P and a molecular weight of 163.11 g/mol. Its IUPAC name is [azanylidyne(propoxy)-λ5-phosphanyl] acetate.

Molecular Properties

Compound Name[azanylidyne(propoxy)-λ5-phosphanyl] acetate
PubChem CID19862341
Molecular FormulaC5H10NO3P
Molecular Weight163.11 g/mol
Exact Mass163.04
IUPAC Name[azanylidyne(propoxy)-λ5-phosphanyl] acetate
SMILESCCCOP(#N)OC(C)=O
InChIInChI=1S/C5H10NO3P/c1-3-4-8-10(6)9-5(2)7/h3-4H2,1-2H3
InChIKeyJFGAZXMJBXBSFR-UHFFFAOYSA-N
XLogP1.77
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.11
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl acetate;hydrate
CID 122690555
sodium;diethoxyphosphanyl acetate;hydride
CID 174816487
propyl ethaneperoxoate
CID 160583975
phosphoric acid;tripropyl phosphite
CID 172682927
1,1-dipropoxypropyl acetate
CID 141080960
propan-1-ol;propyl acetate;hydrate
CID 158673261
iron;2-methylpropane;propyl acetate
CID 160750759
octane;propyl acetate
CID 174786724
dichloro(propoxy)phosphane
CID 536189
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane
CID 87238314
ethyl acetate;methanol;1-propoxypropane
CID 175234331
2-acetyloxyethyl acetate;hexane
CID 137406148

Frequently Asked Questions

What is the IUPAC name of [azanylidyne(propoxy)-λ5-phosphanyl] acetate?
The IUPAC name of [azanylidyne(propoxy)-λ5-phosphanyl] acetate (CID 19862341) is [azanylidyne(propoxy)-λ5-phosphanyl] acetate.
What is the SMILES notation for [azanylidyne(propoxy)-λ5-phosphanyl] acetate?
The canonical SMILES for [azanylidyne(propoxy)-λ5-phosphanyl] acetate is CCCOP(#N)OC(C)=O.
What is the InChIKey of [azanylidyne(propoxy)-λ5-phosphanyl] acetate?
The InChIKey is JFGAZXMJBXBSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO3P/c1-3-4-8-10(6)9-5(2)7/h3-4H2,1-2H3.
What are the key properties of [azanylidyne(propoxy)-λ5-phosphanyl] acetate?
[azanylidyne(propoxy)-λ5-phosphanyl] acetate has a molecular weight of 163.11 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [azanylidyne(propoxy)-λ5-phosphanyl] acetate is sourced from PubChem (CID 19862341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).