1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one

C11H19NO — CID 71364829

IUPAC1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC1CC2(C)CC(=O)CC(C)(C1)N2
InChIInChI=1S/C11H19NO/c1-8-4-10(2)6-9(13)7-11(3,5-8)12-10/h8,12H,4-7H2,1-3H3
InChIKeyLLJIVCREEWBHLQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds

About 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one

1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 71364829) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID71364829
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC1CC2(C)CC(=O)CC(C)(C1)N2
InChIInChI=1S/C11H19NO/c1-8-4-10(2)6-9(13)7-11(3,5-8)12-10/h8,12H,4-7H2,1-3H3
InChIKeyLLJIVCREEWBHLQ-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione
CID 129413450
7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one
CID 164647039
6,6,8-trimethyl-1-azaspiro[3.5]nonan-2-one
CID 64664078
3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one
CID 16642154
Tempone
CID 520789
1,4,4-trimethylbicyclo[4.1.0]heptane-2,5-dione
CID 12640427
2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one
CID 166026899
trans-(3S,5S)-3-methoxy-3,5-dimethylcyclohexan-1-one
CID 130906180
1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one
CID 66107420
1,1,3-trimethylcyclobutane
CID 12656861

Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one (CID 71364829) is 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one is CC1CC2(C)CC(=O)CC(C)(C1)N2.
What is the InChIKey of 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is LLJIVCREEWBHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-4-10(2)6-9(13)7-11(3,5-8)12-10/h8,12H,4-7H2,1-3H3.
What are the key properties of 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one?
1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 181.28 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 71364829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).