(NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine

C12H11NOS — CID 10727503

IUPAC(NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C12H11NOS/c1-9(13-14)11-7-8-12(15-11)10-5-3-2-4-6-10/h2-8,14H,1H3/b13-9+
InChIKeyHVGHVIACTNKFLO-UKTHLTGXSA-N
MW217.29 g/mol
LogP3.61
Rot. Bonds2

About (NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine

(NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine (PubChem CID 10727503) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is (NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine
PubChem CID10727503
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name(NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C12H11NOS/c1-9(13-14)11-7-8-12(15-11)10-5-3-2-4-6-10/h2-8,14H,1H3/b13-9+
InChIKeyHVGHVIACTNKFLO-UKTHLTGXSA-N
XLogP3.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.61
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-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine (CID 10727503) is (NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine is C/C(=N\O)c1ccc(-c2ccccc2)s1.
What is the InChIKey of (NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine?
The InChIKey is HVGHVIACTNKFLO-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H11NOS/c1-9(13-14)11-7-8-12(15-11)10-5-3-2-4-6-10/h2-8,14H,1H3/b13-9+.
What are the key properties of (NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine has a molecular weight of 217.29 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 10727503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).