7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one

C9H16N2O — CID 19098250

IUPAC7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCN1C2CC(=O)CC1CC(N)C2
InChIInChI=1S/C9H16N2O/c1-11-7-2-6(10)3-8(11)5-9(12)4-7/h6-8H,2-5,10H2,1H3
InChIKeyKGUDDNVDOYOAEH-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.14
Rot. Bonds

About 7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one

7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 19098250) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID19098250
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCN1C2CC(=O)CC1CC(N)C2
InChIInChI=1S/C9H16N2O/c1-11-7-2-6(10)3-8(11)5-9(12)4-7/h6-8H,2-5,10H2,1H3
InChIKeyKGUDDNVDOYOAEH-UHFFFAOYSA-N
XLogP0.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one (CID 19098250) is 7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one is CN1C2CC(=O)CC1CC(N)C2.
What is the InChIKey of 7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is KGUDDNVDOYOAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-7-2-6(10)3-8(11)5-9(12)4-7/h6-8H,2-5,10H2,1H3.
What are the key properties of 7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one?
7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 168.24 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-9-methyl-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 19098250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).