2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one

C13H23NO — CID 171938870

IUPAC2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one
SMILESCC(C)C(=O)C1CC2CCCC(C1)N2C
InChIInChI=1S/C13H23NO/c1-9(2)13(15)10-7-11-5-4-6-12(8-10)14(11)3/h9-12H,4-8H2,1-3H3
InChIKeyQOQUNFUSVRCNQQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.47
Rot. Bonds2

About 2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one

2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one (PubChem CID 171938870) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one
PubChem CID171938870
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one
SMILESCC(C)C(=O)C1CC2CCCC(C1)N2C
InChIInChI=1S/C13H23NO/c1-9(2)13(15)10-7-11-5-4-6-12(8-10)14(11)3/h9-12H,4-8H2,1-3H3
InChIKeyQOQUNFUSVRCNQQ-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one (CID 171938870) is 2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one is CC(C)C(=O)C1CC2CCCC(C1)N2C.
What is the InChIKey of 2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one?
The InChIKey is QOQUNFUSVRCNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9(2)13(15)10-7-11-5-4-6-12(8-10)14(11)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one?
2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one is sourced from PubChem (CID 171938870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).