2-methyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide

C12H20N2O2 — CID 62713416

IUPAC2-methyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
SMILESCC(C)(C(N)=O)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C12H20N2O2/c1-12(2,11(13)16)14-8-4-3-5-9(14)7-10(15)6-8/h8-9H,3-7H2,1-2H3,(H2,13,16)
InChIKeyPNHIPIGOMKVSGO-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.84
Rot. Bonds2

About 2-methyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide

2-methyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide (PubChem CID 62713416) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-methyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
PubChem CID62713416
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-methyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
SMILESCC(C)(C(N)=O)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C12H20N2O2/c1-12(2,11(13)16)14-8-4-3-5-9(14)7-10(15)6-8/h8-9H,3-7H2,1-2H3,(H2,13,16)
InChIKeyPNHIPIGOMKVSGO-UHFFFAOYSA-N
XLogP0.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.84
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-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The IUPAC name of 2-methyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide (CID 62713416) is 2-methyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide.
What is the SMILES notation for 2-methyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The canonical SMILES for 2-methyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide is CC(C)(C(N)=O)N1C2CCCC1CC(=O)C2.
What is the InChIKey of 2-methyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The InChIKey is PNHIPIGOMKVSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,11(13)16)14-8-4-3-5-9(14)7-10(15)6-8/h8-9H,3-7H2,1-2H3,(H2,13,16).
What are the key properties of 2-methyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
2-methyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide has a molecular weight of 224.30 g/mol, XLogP of 0.84, 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-9-azabicyclo[3.3.1]nonan-9-yl)propanamide is sourced from PubChem (CID 62713416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).