(NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine

C12H15NO2 — CID 5340604

IUPAC(NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine
SMILESCCOc1ccc(/C=C\C(C)=N\O)cc1
InChIInChI=1S/C12H15NO2/c1-3-15-12-8-6-11(7-9-12)5-4-10(2)13-14/h4-9,14H,3H2,1-2H3/b5-4-,13-10+
InChIKeyPQHBUKNDCJQQME-GNPUEAEQSA-N
MW205.26 g/mol
LogP2.95
Rot. Bonds4

About (NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine

(NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine (PubChem CID 5340604) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine
PubChem CID5340604
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine
SMILESCCOc1ccc(/C=C\C(C)=N\O)cc1
InChIInChI=1S/C12H15NO2/c1-3-15-12-8-6-11(7-9-12)5-4-10(2)13-14/h4-9,14H,3H2,1-2H3/b5-4-,13-10+
InChIKeyPQHBUKNDCJQQME-GNPUEAEQSA-N
XLogP2.95
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine (CID 5340604) is (NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine is CCOc1ccc(/C=C\C(C)=N\O)cc1.
What is the InChIKey of (NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine?
The InChIKey is PQHBUKNDCJQQME-GNPUEAEQSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-15-12-8-6-11(7-9-12)5-4-10(2)13-14/h4-9,14H,3H2,1-2H3/b5-4-,13-10+.
What are the key properties of (NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine?
(NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine has a molecular weight of 205.26 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 5340604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).