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

C9H16N2O — CID 68923710

IUPAC8-methyl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCN1C2CCC1CC(C(N)=O)C2
InChIInChI=1S/C9H16N2O/c1-11-7-2-3-8(11)5-6(4-7)9(10)12/h6-8H,2-5H2,1H3,(H2,10,12)
InChIKeyFUAAUIBWWDXITO-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.34
Rot. Bonds1

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

8-methyl-8-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 68923710) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name8-methyl-8-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID68923710
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name8-methyl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCN1C2CCC1CC(C(N)=O)C2
InChIInChI=1S/C9H16N2O/c1-11-7-2-3-8(11)5-6(4-7)9(10)12/h6-8H,2-5H2,1H3,(H2,10,12)
InChIKeyFUAAUIBWWDXITO-UHFFFAOYSA-N
XLogP0.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxamide (CID 68923710) is 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxamide is CN1C2CCC1CC(C(N)=O)C2.
What is the InChIKey of 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is FUAAUIBWWDXITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-7-2-3-8(11)5-6(4-7)9(10)12/h6-8H,2-5H2,1H3,(H2,10,12).
What are the key properties of 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
8-methyl-8-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 68923710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).