2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide

C12H17N3O3 — CID 66371047

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CN1CC2CCC(C1)O2
InChIInChI=1S/C12H17N3O3/c13-14-12(16)10-3-4-17-11(10)7-15-5-8-1-2-9(6-15)18-8/h3-4,8-9H,1-2,5-7,13H2,(H,14,16)
InChIKeyHNMHEZQCOJYSPK-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.25
Rot. Bonds3

About 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide (PubChem CID 66371047) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide
PubChem CID66371047
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CN1CC2CCC(C1)O2
InChIInChI=1S/C12H17N3O3/c13-14-12(16)10-3-4-17-11(10)7-15-5-8-1-2-9(6-15)18-8/h3-4,8-9H,1-2,5-7,13H2,(H,14,16)
InChIKeyHNMHEZQCOJYSPK-UHFFFAOYSA-N
XLogP0.25
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide (CID 66371047) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide is NNC(=O)c1ccoc1CN1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide?
The InChIKey is HNMHEZQCOJYSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-14-12(16)10-3-4-17-11(10)7-15-5-8-1-2-9(6-15)18-8/h3-4,8-9H,1-2,5-7,13H2,(H,14,16).
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide has a molecular weight of 251.29 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 66371047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).