5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide

C10H14N2OS — CID 3470425

IUPAC5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
SMILESNNC(=O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C10H14N2OS/c11-12-10(13)9-6-7-4-2-1-3-5-8(7)14-9/h6H,1-5,11H2,(H,12,13)
InChIKeyAPDQSPXWVVODJE-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.62
Rot. Bonds1

About 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide

5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide (PubChem CID 3470425) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
PubChem CID3470425
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
SMILESNNC(=O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C10H14N2OS/c11-12-10(13)9-6-7-4-2-1-3-5-8(7)14-9/h6H,1-5,11H2,(H,12,13)
InChIKeyAPDQSPXWVVODJE-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide?
The IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide (CID 3470425) is 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide is NNC(=O)c1cc2c(s1)CCCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide?
The InChIKey is APDQSPXWVVODJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c11-12-10(13)9-6-7-4-2-1-3-5-8(7)14-9/h6H,1-5,11H2,(H,12,13).
What are the key properties of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide?
5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide has a molecular weight of 210.30 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide is sourced from PubChem (CID 3470425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).