3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide

C8H14N2O2 — CID 169006187

IUPAC3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESNC(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C8H14N2O2/c9-8(11)5-1-6-3-12-4-7(2-5)10-6/h5-7,10H,1-4H2,(H2,9,11)
InChIKeyXWMZYZGMXOEDDE-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.76
Rot. Bonds1

About 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide

3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 169006187) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound Name3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID169006187
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESNC(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C8H14N2O2/c9-8(11)5-1-6-3-12-4-7(2-5)10-6/h5-7,10H,1-4H2,(H2,9,11)
InChIKeyXWMZYZGMXOEDDE-UHFFFAOYSA-N
XLogP-0.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Fluoro-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171938712
2-(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetamide
CID 67277942
Methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
CID 91634089
Spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one
CID 118677000
1-(3-Oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
CID 130416280
(1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
CID 155758502
N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
CID 156402437
3-Oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde
CID 171936336
2-Methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
CID 171938878
methyl (1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
CID 72207556
9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
CID 171936374
7-Amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
CID 171936462

Frequently Asked Questions

What is the IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide (CID 169006187) is 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide is NC(=O)C1CC2COCC(C1)N2.
What is the InChIKey of 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is XWMZYZGMXOEDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-8(11)5-1-6-3-12-4-7(2-5)10-6/h5-7,10H,1-4H2,(H2,9,11).
What are the key properties of 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 170.21 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 169006187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).