N-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide

C10H18N2O — CID 129390165

IUPACN-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide
SMILESCC(=O)N[C@@]1(C)CN2CCC1CC2
InChIInChI=1S/C10H18N2O/c1-8(13)11-10(2)7-12-5-3-9(10)4-6-12/h9H,3-7H2,1-2H3,(H,11,13)/t10-/m0/s1
InChIKeyQQIXGHQIRDZOAT-JTQLQIEISA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds1

About N-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide

N-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide (PubChem CID 129390165) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide
PubChem CID129390165
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide
SMILESCC(=O)N[C@@]1(C)CN2CCC1CC2
InChIInChI=1S/C10H18N2O/c1-8(13)11-10(2)7-12-5-3-9(10)4-6-12/h9H,3-7H2,1-2H3,(H,11,13)/t10-/m0/s1
InChIKeyQQIXGHQIRDZOAT-JTQLQIEISA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide?
The IUPAC name of N-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide (CID 129390165) is N-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide?
The canonical SMILES for N-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide is CC(=O)N[C@@]1(C)CN2CCC1CC2.
What is the InChIKey of N-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide?
The InChIKey is QQIXGHQIRDZOAT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(13)11-10(2)7-12-5-3-9(10)4-6-12/h9H,3-7H2,1-2H3,(H,11,13)/t10-/m0/s1.
What are the key properties of N-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide?
N-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide has a molecular weight of 182.27 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]acetamide is sourced from PubChem (CID 129390165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).