N-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

C8H14N2O2 — CID 164661085

IUPACN-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCNC(=O)N1C2CCC1COC2
InChIInChI=1S/C8H14N2O2/c1-9-8(11)10-6-2-3-7(10)5-12-4-6/h6-7H,2-5H2,1H3,(H,9,11)
InChIKeyWLPHWZWOWHBSEG-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.19
Rot. Bonds

About N-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

N-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 164661085) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID164661085
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCNC(=O)N1C2CCC1COC2
InChIInChI=1S/C8H14N2O2/c1-9-8(11)10-6-2-3-7(10)5-12-4-6/h6-7H,2-5H2,1H3,(H,9,11)
InChIKeyWLPHWZWOWHBSEG-UHFFFAOYSA-N
XLogP0.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 164661085) is N-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is CNC(=O)N1C2CCC1COC2.
What is the InChIKey of N-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is WLPHWZWOWHBSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-9-8(11)10-6-2-3-7(10)5-12-4-6/h6-7H,2-5H2,1H3,(H,9,11).
What are the key properties of N-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 170.21 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 164661085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).