(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine

C10H13NO — CID 22968888

IUPAC(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine
SMILESCCc1cccc(/C(C)=N/O)c1
InChIInChI=1S/C10H13NO/c1-3-9-5-4-6-10(7-9)8(2)11-12/h4-7,12H,3H2,1-2H3/b11-8+
InChIKeyQAFIWEQOZVLDPD-DHZHZOJOSA-N
MW163.22 g/mol
LogP2.45
Rot. Bonds2

About (NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine

(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine (PubChem CID 22968888) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine
PubChem CID22968888
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine
SMILESCCc1cccc(/C(C)=N/O)c1
InChIInChI=1S/C10H13NO/c1-3-9-5-4-6-10(7-9)8(2)11-12/h4-7,12H,3H2,1-2H3/b11-8+
InChIKeyQAFIWEQOZVLDPD-DHZHZOJOSA-N
XLogP2.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine (CID 22968888) is (NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine is CCc1cccc(/C(C)=N/O)c1.
What is the InChIKey of (NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine?
The InChIKey is QAFIWEQOZVLDPD-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-9-5-4-6-10(7-9)8(2)11-12/h4-7,12H,3H2,1-2H3/b11-8+.
What are the key properties of (NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine?
(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine has a molecular weight of 163.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 22968888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).