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

C14H19N3O2 — CID 66371242

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide
SMILESNNC(=O)c1ccccc1CN1CC2CCC(C1)O2
InChIInChI=1S/C14H19N3O2/c15-16-14(18)13-4-2-1-3-10(13)7-17-8-11-5-6-12(9-17)19-11/h1-4,11-12H,5-9,15H2,(H,16,18)
InChIKeyJSECVTUUDCGRFB-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.65
Rot. Bonds3

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

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide (PubChem CID 66371242) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide
PubChem CID66371242
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide
SMILESNNC(=O)c1ccccc1CN1CC2CCC(C1)O2
InChIInChI=1S/C14H19N3O2/c15-16-14(18)13-4-2-1-3-10(13)7-17-8-11-5-6-12(9-17)19-11/h1-4,11-12H,5-9,15H2,(H,16,18)
InChIKeyJSECVTUUDCGRFB-UHFFFAOYSA-N
XLogP0.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.65
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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Related Compounds

2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]acetohydrazide
CID 115465539
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide
CID 66371047
2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)benzoic acid
CID 84795975
2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide
CID 63573353
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 112629323
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide
CID 63573428
2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide
CID 63569716
2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide
CID 82689559
5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzoic acid
CID 66369866
2-[(3-oxo-1,4-diazepan-1-yl)methyl]benzohydrazide
CID 65366363
[2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine
CID 107353090

Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide (CID 66371242) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide is NNC(=O)c1ccccc1CN1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide?
The InChIKey is JSECVTUUDCGRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-16-14(18)13-4-2-1-3-10(13)7-17-8-11-5-6-12(9-17)19-11/h1-4,11-12H,5-9,15H2,(H,16,18).
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide has a molecular weight of 261.32 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide is sourced from PubChem (CID 66371242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).