5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide

C11H21N3O2 — CID 66371828

IUPAC5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide
SMILESNNC(=O)CCCCN1CC2CCC(C1)O2
InChIInChI=1S/C11H21N3O2/c12-13-11(15)3-1-2-6-14-7-9-4-5-10(8-14)16-9/h9-10H,1-8,12H2,(H,13,15)
InChIKeyNEBKACQMSURREK-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.01
Rot. Bonds5

About 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide

5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide (PubChem CID 66371828) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide
PubChem CID66371828
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide
SMILESNNC(=O)CCCCN1CC2CCC(C1)O2
InChIInChI=1S/C11H21N3O2/c12-13-11(15)3-1-2-6-14-7-9-4-5-10(8-14)16-9/h9-10H,1-8,12H2,(H,13,15)
InChIKeyNEBKACQMSURREK-UHFFFAOYSA-N
XLogP0.01
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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': 'Aliphatic_long_chain', '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-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide?
The IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide (CID 66371828) is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide.
What is the SMILES notation for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide?
The canonical SMILES for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide is NNC(=O)CCCCN1CC2CCC(C1)O2.
What is the InChIKey of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide?
The InChIKey is NEBKACQMSURREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-13-11(15)3-1-2-6-14-7-9-4-5-10(8-14)16-9/h9-10H,1-8,12H2,(H,13,15).
What are the key properties of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide?
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide has a molecular weight of 227.31 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide is sourced from PubChem (CID 66371828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).