4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide

C11H16N2OS — CID 3852288

IUPAC4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
SMILESNNC(=O)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C11H16N2OS/c12-13-11(14)10-7-8-5-3-1-2-4-6-9(8)15-10/h7H,1-6,12H2,(H,13,14)
InChIKeyRJZNGIMIWYNIKV-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.01
Rot. Bonds1

About 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide

4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide (PubChem CID 3852288) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
PubChem CID3852288
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
SMILESNNC(=O)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C11H16N2OS/c12-13-11(14)10-7-8-5-3-1-2-4-6-9(8)15-10/h7H,1-6,12H2,(H,13,14)
InChIKeyRJZNGIMIWYNIKV-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 4961736
4-Cyano-3-methyl-5-phenylthiophene-2-carbohydrazide
CID 838334
N'-benzoylthiophene-2-carbohydrazide
CID 790437
3-Methylthiophene-2-carbohydrazide
CID 2760084
1-Benzothiophene-2-carbohydrazide
CID 519437
N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922960
N'-(2-fluorobenzoyl)-3-methylthiophene-2-carbohydrazide
CID 2511029
N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide
CID 9105676
Thiophene-2-carbohydrazide, N2-(diphenylacetyl)-
CID 574179
2-Fluoro-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 793919
4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbohydrazide
CID 3470425
4-Methylthiophene-2-carbohydrazide
CID 2808207

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide?
The IUPAC name of 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide (CID 3852288) is 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide.
What is the SMILES notation for 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide?
The canonical SMILES for 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide is NNC(=O)c1cc2c(s1)CCCCCC2.
What is the InChIKey of 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide?
The InChIKey is RJZNGIMIWYNIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-13-11(14)10-7-8-5-3-1-2-4-6-9(8)15-10/h7H,1-6,12H2,(H,13,14).
What are the key properties of 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide?
4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide has a molecular weight of 224.33 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide is sourced from PubChem (CID 3852288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).