2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide

C11H18N2O2 — CID 62739097

IUPAC2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
SMILESCC(C)(C(N)=O)N1C2CCC1CC(=O)C2
InChIInChI=1S/C11H18N2O2/c1-11(2,10(12)15)13-7-3-4-8(13)6-9(14)5-7/h7-8H,3-6H2,1-2H3,(H2,12,15)
InChIKeyPCDXVGHTTRRRTC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.45
Rot. Bonds2

About 2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide

2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide (PubChem CID 62739097) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
PubChem CID62739097
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
SMILESCC(C)(C(N)=O)N1C2CCC1CC(=O)C2
InChIInChI=1S/C11H18N2O2/c1-11(2,10(12)15)13-7-3-4-8(13)6-9(14)5-7/h7-8H,3-6H2,1-2H3,(H2,12,15)
InChIKeyPCDXVGHTTRRRTC-UHFFFAOYSA-N
XLogP0.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
The IUPAC name of 2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide (CID 62739097) is 2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide.
What is the SMILES notation for 2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
The canonical SMILES for 2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide is CC(C)(C(N)=O)N1C2CCC1CC(=O)C2.
What is the InChIKey of 2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
The InChIKey is PCDXVGHTTRRRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,10(12)15)13-7-3-4-8(13)6-9(14)5-7/h7-8H,3-6H2,1-2H3,(H2,12,15).
What are the key properties of 2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide is sourced from PubChem (CID 62739097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).