(NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine

C8H9NOS — CID 5360606

IUPAC(NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2sccc21
InChIInChI=1S/C8H9NOS/c10-9-7-2-1-3-8-6(7)4-5-11-8/h4-5,10H,1-3H2/b9-7+
InChIKeyJMHKHQOLEYGCNT-VQHVLOKHSA-N
MW167.23 g/mol
LogP2.26
Rot. Bonds

About (NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine

(NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine (PubChem CID 5360606) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is (NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
PubChem CID5360606
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name(NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2sccc21
InChIInChI=1S/C8H9NOS/c10-9-7-2-1-3-8-6(7)4-5-11-8/h4-5,10H,1-3H2/b9-7+
InChIKeyJMHKHQOLEYGCNT-VQHVLOKHSA-N
XLogP2.26
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.26
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-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine (CID 5360606) is (NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine is O/N=C1\CCCc2sccc21.
What is the InChIKey of (NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine?
The InChIKey is JMHKHQOLEYGCNT-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H9NOS/c10-9-7-2-1-3-8-6(7)4-5-11-8/h4-5,10H,1-3H2/b9-7+.
What are the key properties of (NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine?
(NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine has a molecular weight of 167.23 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine is sourced from PubChem (CID 5360606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).