(NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine

C10H14NO3P — CID 92531582

IUPAC(NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine
SMILESCO[P@](C)(=O)/C(Cc1ccccc1)=N/O
InChIInChI=1S/C10H14NO3P/c1-14-15(2,13)10(11-12)8-9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3/b11-10+/t15-/m0/s1
InChIKeyNFNSCRWAQXPMNQ-NKSUMMKUSA-N
MW227.20 g/mol
LogP2.57
Rot. Bonds4

About (NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine

(NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine (PubChem CID 92531582) has the molecular formula C10H14NO3P and a molecular weight of 227.20 g/mol. Its IUPAC name is (NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine
PubChem CID92531582
Molecular FormulaC10H14NO3P
Molecular Weight227.20 g/mol
Exact Mass227.07
IUPAC Name(NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine
SMILESCO[P@](C)(=O)/C(Cc1ccccc1)=N/O
InChIInChI=1S/C10H14NO3P/c1-14-15(2,13)10(11-12)8-9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3/b11-10+/t15-/m0/s1
InChIKeyNFNSCRWAQXPMNQ-NKSUMMKUSA-N
XLogP2.57
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine
CID 135482640
(2-diazo-2-dimethoxyphosphorylethyl)benzene
CID 14789373
1-[methoxy(phenyl)phosphoryl]-2-phenylethanone
CID 86255472
2-methoxyimino-3-phenylpropanamide
CID 139885002
CID 172801156
CID 172801156
[benzyl(methoxy)phosphoryl]methanol
CID 54224349
4-methoxy-1-phenylpent-4-en-2-one
CID 143549548
methyl 2-benzylprop-2-enoate
CID 575761
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
N'-hydroxy-2-phenylethanimidamide
CID 6074309
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
N-(1-phenylpentan-2-ylidene)hydroxylamine
CID 131860547

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine (CID 92531582) is (NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine is CO[P@](C)(=O)/C(Cc1ccccc1)=N/O.
What is the InChIKey of (NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine?
The InChIKey is NFNSCRWAQXPMNQ-NKSUMMKUSA-N. The full InChI is InChI=1S/C10H14NO3P/c1-14-15(2,13)10(11-12)8-9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3/b11-10+/t15-/m0/s1.
What are the key properties of (NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine?
(NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine has a molecular weight of 227.20 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine is sourced from PubChem (CID 92531582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).