(NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine

C9H20NO4P — CID 13294123

IUPAC(NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine
SMILESCC/C(=N\O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H20NO4P/c1-6-9(10-11)15(12,13-7(2)3)14-8(4)5/h7-8,11H,6H2,1-5H3/b10-9+
InChIKeyJVTAADPRMYIWDO-MDZDMXLPSA-N
MW237.24 g/mol
LogP3.23
Rot. Bonds6

About (NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine

(NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine (PubChem CID 13294123) has the molecular formula C9H20NO4P and a molecular weight of 237.24 g/mol. Its IUPAC name is (NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine
PubChem CID13294123
Molecular FormulaC9H20NO4P
Molecular Weight237.24 g/mol
Exact Mass237.11
IUPAC Name(NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine
SMILESCC/C(=N\O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H20NO4P/c1-6-9(10-11)15(12,13-7(2)3)14-8(4)5/h7-8,11H,6H2,1-5H3/b10-9+
InChIKeyJVTAADPRMYIWDO-MDZDMXLPSA-N
XLogP3.23
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine (CID 13294123) is (NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine is CC/C(=N\O)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of (NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine?
The InChIKey is JVTAADPRMYIWDO-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20NO4P/c1-6-9(10-11)15(12,13-7(2)3)14-8(4)5/h7-8,11H,6H2,1-5H3/b10-9+.
What are the key properties of (NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine?
(NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine has a molecular weight of 237.24 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-di(propan-2-yloxy)phosphorylpropylidene]hydroxylamine is sourced from PubChem (CID 13294123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).