(NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine

C9H10INO — CID 89387038

IUPAC(NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine
SMILESCc1cccc(/C(CI)=N\O)c1
InChIInChI=1S/C9H10INO/c1-7-3-2-4-8(5-7)9(6-10)11-12/h2-5,12H,6H2,1H3/b11-9-
InChIKeyGWUAKBUNZVPMTF-LUAWRHEFSA-N
MW275.09 g/mol
LogP2.61
Rot. Bonds2

About (NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine

(NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine (PubChem CID 89387038) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is (NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine
PubChem CID89387038
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name(NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine
SMILESCc1cccc(/C(CI)=N\O)c1
InChIInChI=1S/C9H10INO/c1-7-3-2-4-8(5-7)9(6-10)11-12/h2-5,12H,6H2,1H3/b11-9-
InChIKeyGWUAKBUNZVPMTF-LUAWRHEFSA-N
XLogP2.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
3-methylbenzoic acid;nitrous acid
CID 175097452
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
bis(3-methylphenyl)methanone
CID 17848
(2Z)-2-ethoxyimino-2-(3-methylphenyl)ethanethiol;propane
CID 142869456
(2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone
CID 87399284
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
1-[(Z)-2-bromo-1-iodoethenyl]-3-methylbenzene
CID 102257865
1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine
CID 173346929
CID 174102680
CID 174102680

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine (CID 89387038) is (NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine is Cc1cccc(/C(CI)=N\O)c1.
What is the InChIKey of (NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine?
The InChIKey is GWUAKBUNZVPMTF-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H10INO/c1-7-3-2-4-8(5-7)9(6-10)11-12/h2-5,12H,6H2,1H3/b11-9-.
What are the key properties of (NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine?
(NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine has a molecular weight of 275.09 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-iodo-1-(3-methylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 89387038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).