N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine

C9H11NOS — CID 787914

IUPACN-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine
SMILESON=C1CCCCc2sccc21
InChIInChI=1S/C9H11NOS/c11-10-8-3-1-2-4-9-7(8)5-6-12-9/h5-6,11H,1-4H2
InChIKeyIXIDLXSEAAKLNE-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.65
Rot. Bonds

About N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine

N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine (PubChem CID 787914) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine
PubChem CID787914
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC NameN-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine
SMILESON=C1CCCCc2sccc21
InChIInChI=1S/C9H11NOS/c11-10-8-3-1-2-4-9-7(8)5-6-12-9/h5-6,11H,1-4H2
InChIKeyIXIDLXSEAAKLNE-UHFFFAOYSA-N
XLogP2.65
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.65
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 N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine?
The IUPAC name of N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine (CID 787914) is N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine?
The canonical SMILES for N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine is ON=C1CCCCc2sccc21.
What is the InChIKey of N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine?
The InChIKey is IXIDLXSEAAKLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c11-10-8-3-1-2-4-9-7(8)5-6-12-9/h5-6,11H,1-4H2.
What are the key properties of N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine?
N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine has a molecular weight of 181.26 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine is sourced from PubChem (CID 787914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).