(NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine

C10H11NO2 — CID 6867701

IUPAC(NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
SMILESC=CCOc1ccccc1/C=N/O
InChIInChI=1S/C10H11NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11-12/h2-6,8,12H,1,7H2/b11-8+
InChIKeyPCWLXHIQGXUSCE-DHZHZOJOSA-N
MW177.20 g/mol
LogP2.06
Rot. Bonds4

About (NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine (PubChem CID 6867701) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
PubChem CID6867701
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
SMILESC=CCOc1ccccc1/C=N/O
InChIInChI=1S/C10H11NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11-12/h2-6,8,12H,1,7H2/b11-8+
InChIKeyPCWLXHIQGXUSCE-DHZHZOJOSA-N
XLogP2.06
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine (CID 6867701) is (NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine is C=CCOc1ccccc1/C=N/O.
What is the InChIKey of (NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The InChIKey is PCWLXHIQGXUSCE-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11-12/h2-6,8,12H,1,7H2/b11-8+.
What are the key properties of (NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine has a molecular weight of 177.20 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 6867701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).