5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide

C13H15N3O3S — CID 64828866

IUPAC5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide
SMILESCC1(C)C2C(=O)N(Cc3ccc(C(=O)NN)s3)C(=O)C21
InChIInChI=1S/C13H15N3O3S/c1-13(2)8-9(13)12(19)16(11(8)18)5-6-3-4-7(20-6)10(17)15-14/h3-4,8-9H,5,14H2,1-2H3,(H,15,17)
InChIKeyRHDCEOXYLIJXNM-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.49
Rot. Bonds3

About 5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide

5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 64828866) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide
PubChem CID64828866
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide
SMILESCC1(C)C2C(=O)N(Cc3ccc(C(=O)NN)s3)C(=O)C21
InChIInChI=1S/C13H15N3O3S/c1-13(2)8-9(13)12(19)16(11(8)18)5-6-3-4-7(20-6)10(17)15-14/h3-4,8-9H,5,14H2,1-2H3,(H,15,17)
InChIKeyRHDCEOXYLIJXNM-UHFFFAOYSA-N
XLogP0.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide (CID 64828866) is 5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide is CC1(C)C2C(=O)N(Cc3ccc(C(=O)NN)s3)C(=O)C21.
What is the InChIKey of 5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is RHDCEOXYLIJXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-13(2)8-9(13)12(19)16(11(8)18)5-6-3-4-7(20-6)10(17)15-14/h3-4,8-9H,5,14H2,1-2H3,(H,15,17).
What are the key properties of 5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide?
5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 293.35 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 64828866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).