lithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate

C4H9LiNO4P — CID 58696780

IUPAClithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate
SMILESCC/C(=N/O)P(=O)([O-])OC.[Li+]
InChIInChI=1S/C4H10NO4P.Li/c1-3-4(5-6)10(7,8)9-2;/h6H,3H2,1-2H3,(H,7,8);/q;+1/p-1/b5-4-;
InChIKeyBVRKPSVSOIVSCH-MKWAYWHRSA-M
MW173.03 g/mol
LogP-2.61
Rot. Bonds3

About lithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate

lithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate (PubChem CID 58696780) has the molecular formula C4H9LiNO4P and a molecular weight of 173.03 g/mol. Its IUPAC name is lithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate.

Molecular Properties

Compound Namelithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate
PubChem CID58696780
Molecular FormulaC4H9LiNO4P
Molecular Weight173.03 g/mol
Exact Mass173.04
IUPAC Namelithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate
SMILESCC/C(=N/O)P(=O)([O-])OC.[Li+]
InChIInChI=1S/C4H10NO4P.Li/c1-3-4(5-6)10(7,8)9-2;/h6H,3H2,1-2H3,(H,7,8);/q;+1/p-1/b5-4-;
InChIKeyBVRKPSVSOIVSCH-MKWAYWHRSA-M
XLogP-2.61
TPSA81.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.03
LogP ≤ 5-2.61
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
Diethyl N-hydroxyethanimidoylphosphonate
CID 9568507
N-(1-diethoxyphosphorylbutylidene)hydroxylamine
CID 3056460
(NZ)-N-(1-diethoxyphosphorylethylidene)hydroxylamine
CID 5464780
Dimethyl (1E)-N-hydroxyethanimidoylphosphonate
CID 9602557
N-(1-diethoxyphosphorylethylidene)hydroxylamine
CID 272988
[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinic acid
CID 58696781
N-(1-dimethoxyphosphoryl-2,2-dimethylpropylidene)hydroxylamine
CID 85909453
(NE)-N-(1-dimethoxyphosphorylpropan-2-ylidene)hydroxylamine
CID 145804403
(E)-1-dimethoxyphosphoryl-N-methoxyethanimine
CID 145806581
3-Dimethoxyphosphoryl-4,5-dihydro-1,2-oxazole
CID 175601620
N-(1-diethoxyphosphorylpropylidene)hydroxylamine
CID 273284

Frequently Asked Questions

What is the IUPAC name of lithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate?
The IUPAC name of lithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate (CID 58696780) is lithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate.
What is the SMILES notation for lithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate?
The canonical SMILES for lithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate is CC/C(=N/O)P(=O)([O-])OC.[Li+].
What is the InChIKey of lithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate?
The InChIKey is BVRKPSVSOIVSCH-MKWAYWHRSA-M. The full InChI is InChI=1S/C4H10NO4P.Li/c1-3-4(5-6)10(7,8)9-2;/h6H,3H2,1-2H3,(H,7,8);/q;+1/p-1/b5-4-;.
What are the key properties of lithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate?
lithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate has a molecular weight of 173.03 g/mol, XLogP of -2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(Z)-C-ethyl-N-hydroxycarbonimidoyl]-methoxyphosphinate is sourced from PubChem (CID 58696780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).