(NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine

C7H16NO4P — CID 11052878

IUPAC(NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine
SMILESCCOP(=O)(CC/C=N/O)OCC
InChIInChI=1S/C7H16NO4P/c1-3-11-13(10,12-4-2)7-5-6-8-9/h6,9H,3-5,7H2,1-2H3/b8-6+
InChIKeyQYTOXOOOILFHMX-SOFGYWHQSA-N
MW209.18 g/mol
LogP2.10
Rot. Bonds7

About (NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine

(NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine (PubChem CID 11052878) has the molecular formula C7H16NO4P and a molecular weight of 209.18 g/mol. Its IUPAC name is (NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine
PubChem CID11052878
Molecular FormulaC7H16NO4P
Molecular Weight209.18 g/mol
Exact Mass209.08
IUPAC Name(NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine
SMILESCCOP(=O)(CC/C=N/O)OCC
InChIInChI=1S/C7H16NO4P/c1-3-11-13(10,12-4-2)7-5-6-8-9/h6,9H,3-5,7H2,1-2H3/b8-6+
InChIKeyQYTOXOOOILFHMX-SOFGYWHQSA-N
XLogP2.10
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Phosphonic acid, (1-oxobutyl)-, diethyl ester, oxime
CID 9588266
(NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine
CID 13204159
Oximinobutylphosphonic acid dimethyl ester
CID 129815734
2-diethoxyphosphoryl-N-methylethanimine oxide
CID 134895089
3-diethoxyphosphoryl-N-methylpropan-1-imine oxide
CID 135087044
(E)-2-diethoxyphosphoryl-N-methoxyethanimine
CID 135087116
N-(1-diethoxyphosphorylbutylidene)hydroxylamine
CID 3056460
4,5-Dihydro-1,2-oxazol-5-ylmethylphosphonic acid
CID 21614132
2-(Ethylideneamino)oxyethoxy-methylphosphinic acid
CID 59073323
Dipropyl [2-(hydroxyimino)ethyl]phosphonate
CID 71329549
Diethyl [2-(hydroxyimino)ethyl]phosphonate
CID 71335397
N-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
CID 73178711

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine (CID 11052878) is (NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine is CCOP(=O)(CC/C=N/O)OCC.
What is the InChIKey of (NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine?
The InChIKey is QYTOXOOOILFHMX-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H16NO4P/c1-3-11-13(10,12-4-2)7-5-6-8-9/h6,9H,3-5,7H2,1-2H3/b8-6+.
What are the key properties of (NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine?
(NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine has a molecular weight of 209.18 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine is sourced from PubChem (CID 11052878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).