(NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine

C7H15BrNO4P — CID 129383429

IUPAC(NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine
SMILESCCOP(=O)(OCC)[C@H](Br)/C(C)=N\O
InChIInChI=1S/C7H15BrNO4P/c1-4-12-14(11,13-5-2)7(8)6(3)9-10/h7,10H,4-5H2,1-3H3/b9-6-/t7-/m0/s1
InChIKeyBVCFOCBKFKBRCI-AXDULGOBSA-N
MW288.08 g/mol
LogP2.82
Rot. Bonds6

About (NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine

(NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine (PubChem CID 129383429) has the molecular formula C7H15BrNO4P and a molecular weight of 288.08 g/mol. Its IUPAC name is (NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine
PubChem CID129383429
Molecular FormulaC7H15BrNO4P
Molecular Weight288.08 g/mol
Exact Mass286.99
IUPAC Name(NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine
SMILESCCOP(=O)(OCC)[C@H](Br)/C(C)=N\O
InChIInChI=1S/C7H15BrNO4P/c1-4-12-14(11,13-5-2)7(8)6(3)9-10/h7,10H,4-5H2,1-3H3/b9-6-/t7-/m0/s1
InChIKeyBVCFOCBKFKBRCI-AXDULGOBSA-N
XLogP2.82
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine
CID 169084703
(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
CID 125471550
(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
3,3-bis(diethoxyphosphoryl)propanoic acid
CID 19689030
methyl (2S)-1-[(1R,2E)-1-diethoxyphosphoryl-2-hydroxyiminopropyl]pyrrolidine-2-carboxylate
CID 16741921
N-[bis(diethoxyphosphoryl)methyl]-2-bromoacetamide
CID 14997216
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
acetic acid;triethyl phosphate
CID 161446956
2-[2,2-bis(diethoxyphosphoryl)ethyl]propanedioic acid
CID 23283927
1,1,2-tris(diethoxyphosphoryl)ethane
CID 10160299
3-diethoxyphosphoryl-2-methylhept-1-ene
CID 10658188

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine (CID 129383429) is (NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine is CCOP(=O)(OCC)[C@H](Br)/C(C)=N\O.
What is the InChIKey of (NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine?
The InChIKey is BVCFOCBKFKBRCI-AXDULGOBSA-N. The full InChI is InChI=1S/C7H15BrNO4P/c1-4-12-14(11,13-5-2)7(8)6(3)9-10/h7,10H,4-5H2,1-3H3/b9-6-/t7-/m0/s1.
What are the key properties of (NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine?
(NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine has a molecular weight of 288.08 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine is sourced from PubChem (CID 129383429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).