2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide

C11H21N3O2 — CID 79409341

IUPAC2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide
SMILESCC(C(=O)NN)C(C)N1CC2CCC(C1)O2
InChIInChI=1S/C11H21N3O2/c1-7(11(15)13-12)8(2)14-5-9-3-4-10(6-14)16-9/h7-10H,3-6,12H2,1-2H3,(H,13,15)
InChIKeyLFHHZBLCXGKBKY-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.14
Rot. Bonds3

About 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide

2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide (PubChem CID 79409341) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide.

Molecular Properties

Compound Name2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide
PubChem CID79409341
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide
SMILESCC(C(=O)NN)C(C)N1CC2CCC(C1)O2
InChIInChI=1S/C11H21N3O2/c1-7(11(15)13-12)8(2)14-5-9-3-4-10(6-14)16-9/h7-10H,3-6,12H2,1-2H3,(H,13,15)
InChIKeyLFHHZBLCXGKBKY-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
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 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide?
The IUPAC name of 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide (CID 79409341) is 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide.
What is the SMILES notation for 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide?
The canonical SMILES for 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide is CC(C(=O)NN)C(C)N1CC2CCC(C1)O2.
What is the InChIKey of 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide?
The InChIKey is LFHHZBLCXGKBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-7(11(15)13-12)8(2)14-5-9-3-4-10(6-14)16-9/h7-10H,3-6,12H2,1-2H3,(H,13,15).
What are the key properties of 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide?
2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide has a molecular weight of 227.31 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanehydrazide is sourced from PubChem (CID 79409341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).