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

C8H13NOSe — CID 24846034

IUPAC9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one
SMILESCN1C2C[Se]CC1CC(=O)C2
InChIInChI=1S/C8H13NOSe/c1-9-6-2-8(10)3-7(9)5-11-4-6/h6-7H,2-5H2,1H3
InChIKeyCBCPEAHZGDNBSD-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.57
Rot. Bonds

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

9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one (PubChem CID 24846034) has the molecular formula C8H13NOSe and a molecular weight of 218.16 g/mol. Its IUPAC name is 9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one.

Molecular Properties

Compound Name9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one
PubChem CID24846034
Molecular FormulaC8H13NOSe
Molecular Weight218.16 g/mol
Exact Mass219.02
IUPAC Name9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one
SMILESCN1C2C[Se]CC1CC(=O)C2
InChIInChI=1S/C8H13NOSe/c1-9-6-2-8(10)3-7(9)5-11-4-6/h6-7H,2-5H2,1H3
InChIKeyCBCPEAHZGDNBSD-UHFFFAOYSA-N
XLogP0.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 6338849
8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide
CID 3057566
9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 54349876
6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one
CID 573423
(1R,5R,6S,7R)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 98398544
(6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 45357850
(1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one
CID 98156442
11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one
CID 121222238
8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740847
N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
CID 62739455
ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one
CID 159223821
8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one
CID 62740118

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one?
The IUPAC name of 9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one (CID 24846034) is 9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one.
What is the SMILES notation for 9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one?
The canonical SMILES for 9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one is CN1C2C[Se]CC1CC(=O)C2.
What is the InChIKey of 9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one?
The InChIKey is CBCPEAHZGDNBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOSe/c1-9-6-2-8(10)3-7(9)5-11-4-6/h6-7H,2-5H2,1H3.
What are the key properties of 9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one?
9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one has a molecular weight of 218.16 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one is sourced from PubChem (CID 24846034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).