(NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine

C7H16NO4P — CID 11264267

IUPAC(NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine
SMILESCCOP(=O)(OCC)C(C)/C=N/O
InChIInChI=1S/C7H16NO4P/c1-4-11-13(10,12-5-2)7(3)6-8-9/h6-7,9H,4-5H2,1-3H3/b8-6+
InChIKeyHXTMNCCHSKECID-SOFGYWHQSA-N
MW209.18 g/mol
LogP2.10
Rot. Bonds6

About (NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine

(NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine (PubChem CID 11264267) has the molecular formula C7H16NO4P and a molecular weight of 209.18 g/mol. Its IUPAC name is (NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine
PubChem CID11264267
Molecular FormulaC7H16NO4P
Molecular Weight209.18 g/mol
Exact Mass209.08
IUPAC Name(NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine
SMILESCCOP(=O)(OCC)C(C)/C=N/O
InChIInChI=1S/C7H16NO4P/c1-4-11-13(10,12-5-2)7(3)6-8-9/h6-7,9H,4-5H2,1-3H3/b8-6+
InChIKeyHXTMNCCHSKECID-SOFGYWHQSA-N
XLogP2.10
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

CID 9588266
CID 9588266
CID 13204159
CID 13204159
CID 11052878
CID 11052878
CID 129815734
CID 129815734
CID 134895089
CID 134895089
CID 135087044
CID 135087044
CID 135087116
CID 135087116
CID 3056460
CID 3056460
CID 21614132
CID 21614132
CID 59073323
CID 59073323
CID 71329549
CID 71329549
CID 71335397
CID 71335397

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine (CID 11264267) is (NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine is CCOP(=O)(OCC)C(C)/C=N/O.
What is the InChIKey of (NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine?
The InChIKey is HXTMNCCHSKECID-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H16NO4P/c1-4-11-13(10,12-5-2)7(3)6-8-9/h6-7,9H,4-5H2,1-3H3/b8-6+.
What are the key properties of (NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine?
(NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine has a molecular weight of 209.18 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-diethoxyphosphorylpropylidene)hydroxylamine is sourced from PubChem (CID 11264267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).