N',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide

C9H15N3O2 — CID 166662426

IUPACN',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide
SMILESCNNC(=O)C12CCCC1C(C)=NO2
InChIInChI=1S/C9H15N3O2/c1-6-7-4-3-5-9(7,14-12-6)8(13)11-10-2/h7,10H,3-5H2,1-2H3,(H,11,13)
InChIKeyUNQYJUUNHHPUPU-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.18
Rot. Bonds2

About N',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide

N',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide (PubChem CID 166662426) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide.

Molecular Properties

Compound NameN',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide
PubChem CID166662426
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide
SMILESCNNC(=O)C12CCCC1C(C)=NO2
InChIInChI=1S/C9H15N3O2/c1-6-7-4-3-5-9(7,14-12-6)8(13)11-10-2/h7,10H,3-5H2,1-2H3,(H,11,13)
InChIKeyUNQYJUUNHHPUPU-UHFFFAOYSA-N
XLogP0.18
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide?
The IUPAC name of N',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide (CID 166662426) is N',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide.
What is the SMILES notation for N',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide?
The canonical SMILES for N',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide is CNNC(=O)C12CCCC1C(C)=NO2.
What is the InChIKey of N',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide?
The InChIKey is UNQYJUUNHHPUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-7-4-3-5-9(7,14-12-6)8(13)11-10-2/h7,10H,3-5H2,1-2H3,(H,11,13).
What are the key properties of N',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide?
N',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide has a molecular weight of 197.24 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbohydrazide is sourced from PubChem (CID 166662426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).