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

C9H11NOS — CID 5406440

IUPAC(NZ)-N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine
SMILESO/N=C1/CCCCc2sccc21
InChIInChI=1S/C9H11NOS/c11-10-8-3-1-2-4-9-7(8)5-6-12-9/h5-6,11H,1-4H2/b10-8-
InChIKeyIXIDLXSEAAKLNE-NTMALXAHSA-N
MW181.26 g/mol
LogP2.65
Rot. Bonds

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

(NZ)-N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine (PubChem CID 5406440) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is (NZ)-N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine
PubChem CID5406440
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name(NZ)-N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine
SMILESO/N=C1/CCCCc2sccc21
InChIInChI=1S/C9H11NOS/c11-10-8-3-1-2-4-9-7(8)5-6-12-9/h5-6,11H,1-4H2/b10-8-
InChIKeyIXIDLXSEAAKLNE-NTMALXAHSA-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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Related Compounds

Benzo(b)thiophen-4(5H)-one, 6,7-dihydro-, oxime
CID 6509737
Ketone, phenyl 2-thienyl, oxime
CID 9570619
2-Butyl-5,6,7,8-tetrahydro-cyclohepta[b]thiophen-4-one oxime
CID 5907936
(E)-6,7-dihydrobenzo[b]thiophen-4(5h)-one oxime
CID 5360606
N-(1-(5-phenylthiophen-2-yl)ethylidene)hydroxylamine
CID 10727503
Propyl thienyl ketoxime
CID 642332
Amyl thienyl ketoxime
CID 86128638
(NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine
CID 135086133
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylidene)hydroxylamine
CID 29898
(Z)-(4-methylphenyl)(2-thienyl)methanone oxime
CID 9601053
Isopropyl(2-thienyl)ketoxime
CID 76979168
3-Methylthiol-2-butanone oxime
CID 129887335

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine (CID 5406440) is (NZ)-N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine is O/N=C1/CCCCc2sccc21.
What is the InChIKey of (NZ)-N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine?
The InChIKey is IXIDLXSEAAKLNE-NTMALXAHSA-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/b10-8-.
What are the key properties of (NZ)-N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine?
(NZ)-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 (NZ)-N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine is sourced from PubChem (CID 5406440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).