(NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine

C10H10ClNO2 — CID 6898245

IUPAC(NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine
SMILESC=CCOc1ccc(/C=N/O)cc1Cl
InChIInChI=1S/C10H10ClNO2/c1-2-5-14-10-4-3-8(7-12-13)6-9(10)11/h2-4,6-7,13H,1,5H2/b12-7+
InChIKeyPVVYXFJRXJOEIM-KPKJPENVSA-N
MW211.65 g/mol
LogP2.71
Rot. Bonds4

About (NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine (PubChem CID 6898245) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine
PubChem CID6898245
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine
SMILESC=CCOc1ccc(/C=N/O)cc1Cl
InChIInChI=1S/C10H10ClNO2/c1-2-5-14-10-4-3-8(7-12-13)6-9(10)11/h2-4,6-7,13H,1,5H2/b12-7+
InChIKeyPVVYXFJRXJOEIM-KPKJPENVSA-N
XLogP2.71
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.71
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-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine (CID 6898245) is (NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine is C=CCOc1ccc(/C=N/O)cc1Cl.
What is the InChIKey of (NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The InChIKey is PVVYXFJRXJOEIM-KPKJPENVSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-2-5-14-10-4-3-8(7-12-13)6-9(10)11/h2-4,6-7,13H,1,5H2/b12-7+.
What are the key properties of (NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine has a molecular weight of 211.65 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 6898245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).