N-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide

C11H14BrNOS — CID 131875696

IUPACN-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide
SMILESC=CCCCC(C(Br)=NO)c1cccs1
InChIInChI=1S/C11H14BrNOS/c1-2-3-4-6-9(11(12)13-14)10-7-5-8-15-10/h2,5,7-9,14H,1,3-4,6H2
InChIKeyPBFPWEQSYKVOLY-UHFFFAOYSA-N
MW288.21 g/mol
LogP4.37
Rot. Bonds6

About N-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide

N-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide (PubChem CID 131875696) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is N-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide.

Molecular Properties

Compound NameN-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide
PubChem CID131875696
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC NameN-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide
SMILESC=CCCCC(C(Br)=NO)c1cccs1
InChIInChI=1S/C11H14BrNOS/c1-2-3-4-6-9(11(12)13-14)10-7-5-8-15-10/h2,5,7-9,14H,1,3-4,6H2
InChIKeyPBFPWEQSYKVOLY-UHFFFAOYSA-N
XLogP4.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

(1E)-N-hydroxy-2-phenylhept-6-enimidoyl bromide
CID 100965081
1-thiophen-2-yloct-7-enylhydrazine
CID 107012375
N-(thiophen-2-ylmethyl)hept-6-en-2-amine
CID 115908870
1-bromohex-5-enylbenzene
CID 13296849
N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine
CID 115906838
5-chloro-2-thiophen-2-ylpentanoic acid
CID 11160300
2-[1-(2-bromoprop-2-enoxy)but-3-enyl]thiophene
CID 102413478
prop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate
CID 173458848
7-thiophen-2-ylhept-1-en-4-ol
CID 105081719
1-thiophen-2-yltellanylhex-5-en-2-ol
CID 15258826
1-amino-1-thiophen-2-ylpent-4-en-2-one
CID 116601434
1-(1-benzothiophen-3-yl)hex-5-en-1-ol
CID 115804490

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide?
The IUPAC name of N-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide (CID 131875696) is N-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide.
What is the SMILES notation for N-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide?
The canonical SMILES for N-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide is C=CCCCC(C(Br)=NO)c1cccs1.
What is the InChIKey of N-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide?
The InChIKey is PBFPWEQSYKVOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-2-3-4-6-9(11(12)13-14)10-7-5-8-15-10/h2,5,7-9,14H,1,3-4,6H2.
What are the key properties of N-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide?
N-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide has a molecular weight of 288.21 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-thiophen-2-ylhept-6-enimidoyl bromide is sourced from PubChem (CID 131875696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).