(NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine

C11H12ClNO2 — CID 24704869

IUPAC(NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(OC/C=C/Cl)cc1
InChIInChI=1S/C11H12ClNO2/c1-9(13-14)10-3-5-11(6-4-10)15-8-2-7-12/h2-7,14H,8H2,1H3/b7-2+,13-9+
InChIKeyAXMUKMQHDWTUEH-YJSMNMBWSA-N
MW225.68 g/mol
LogP3.02
Rot. Bonds4

About (NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 24704869) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is (NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine
PubChem CID24704869
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name(NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(OC/C=C/Cl)cc1
InChIInChI=1S/C11H12ClNO2/c1-9(13-14)10-3-5-11(6-4-10)15-8-2-7-12/h2-7,14H,8H2,1H3/b7-2+,13-9+
InChIKeyAXMUKMQHDWTUEH-YJSMNMBWSA-N
XLogP3.02
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

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2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N,N-dimethylacetamide
CID 24701395
(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24709882
N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 74598649
(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine
CID 103033958

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine (CID 24704869) is (NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1ccc(OC/C=C/Cl)cc1.
What is the InChIKey of (NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is AXMUKMQHDWTUEH-YJSMNMBWSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-9(13-14)10-3-5-11(6-4-10)15-8-2-7-12/h2-7,14H,8H2,1H3/b7-2+,13-9+.
What are the key properties of (NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 225.68 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 24704869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).