3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide

C11H21N3O2 — CID 63585087

IUPAC3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide
SMILESCC(CC(=O)NN)N1CCOC2CCCC21
InChIInChI=1S/C11H21N3O2/c1-8(7-11(15)13-12)14-5-6-16-10-4-2-3-9(10)14/h8-10H,2-7,12H2,1H3,(H,13,15)
InChIKeyPDISYACICCGAGV-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.01
Rot. Bonds3

About 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide

3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide (PubChem CID 63585087) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide.

Molecular Properties

Compound Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide
PubChem CID63585087
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide
SMILESCC(CC(=O)NN)N1CCOC2CCCC21
InChIInChI=1S/C11H21N3O2/c1-8(7-11(15)13-12)14-5-6-16-10-4-2-3-9(10)14/h8-10H,2-7,12H2,1H3,(H,13,15)
InChIKeyPDISYACICCGAGV-UHFFFAOYSA-N
XLogP0.01
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide?
The IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide (CID 63585087) is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide.
What is the SMILES notation for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide?
The canonical SMILES for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide is CC(CC(=O)NN)N1CCOC2CCCC21.
What is the InChIKey of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide?
The InChIKey is PDISYACICCGAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(7-11(15)13-12)14-5-6-16-10-4-2-3-9(10)14/h8-10H,2-7,12H2,1H3,(H,13,15).
What are the key properties of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide?
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide has a molecular weight of 227.31 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide is sourced from PubChem (CID 63585087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).