(1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide

C11H14BrNO2S — CID 134968306

IUPAC(1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide
SMILESCc1ccc(C(=O)/C(Br)=N/OC(C)(C)C)s1
InChIInChI=1S/C11H14BrNO2S/c1-7-5-6-8(16-7)9(14)10(12)13-15-11(2,3)4/h5-6H,1-4H3/b13-10-
InChIKeyLNVSGZPMYCRUOR-RAXLEYEMSA-N
MW304.21 g/mol
LogP3.76
Rot. Bonds3

About (1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide

(1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide (PubChem CID 134968306) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is (1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide.

Molecular Properties

Compound Name(1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide
PubChem CID134968306
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name(1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide
SMILESCc1ccc(C(=O)/C(Br)=N/OC(C)(C)C)s1
InChIInChI=1S/C11H14BrNO2S/c1-7-5-6-8(16-7)9(14)10(12)13-15-11(2,3)4/h5-6H,1-4H3/b13-10-
InChIKeyLNVSGZPMYCRUOR-RAXLEYEMSA-N
XLogP3.76
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide?
The IUPAC name of (1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide (CID 134968306) is (1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide.
What is the SMILES notation for (1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide?
The canonical SMILES for (1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide is Cc1ccc(C(=O)/C(Br)=N/OC(C)(C)C)s1.
What is the InChIKey of (1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide?
The InChIKey is LNVSGZPMYCRUOR-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-7-5-6-8(16-7)9(14)10(12)13-15-11(2,3)4/h5-6H,1-4H3/b13-10-.
What are the key properties of (1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide?
(1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide has a molecular weight of 304.21 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide is sourced from PubChem (CID 134968306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).