3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+)

C8H13N2ORb — CID 173482628

IUPAC3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+)
SMILESO=[C-]N1C2CCNCC1CC2.[Rb+]
InChIInChI=1S/C8H13N2O.Rb/c11-6-10-7-1-2-8(10)5-9-4-3-7;/h7-9H,1-5H2;/q-1;+1
InChIKeyJKKMUXXNLCJTFY-UHFFFAOYSA-N
MW238.67 g/mol
LogP-3.12
Rot. Bonds1

About 3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+)

3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+) (PubChem CID 173482628) has the molecular formula C8H13N2ORb and a molecular weight of 238.67 g/mol. Its IUPAC name is 3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+).

Molecular Properties

Compound Name3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+)
PubChem CID173482628
Molecular FormulaC8H13N2ORb
Molecular Weight238.67 g/mol
Exact Mass238.01
IUPAC Name3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+)
SMILESO=[C-]N1C2CCNCC1CC2.[Rb+]
InChIInChI=1S/C8H13N2O.Rb/c11-6-10-7-1-2-8(10)5-9-4-3-7;/h7-9H,1-5H2;/q-1;+1
InChIKeyJKKMUXXNLCJTFY-UHFFFAOYSA-N
XLogP-3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 5-3.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride
CID 75530864
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
CID 59172058
2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide
CID 129409583
3-(azetidin-1-yl)pyrrolidine;hydrochloride
CID 53414698
3-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]propanoic acid
CID 130884712
9-(cyclohexylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 120719768
1-pyrrolidin-3-ylazepane-2,7-dione
CID 62329466
9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 120719187
tert-butyl (1R)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
CID 118214329
9-butan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 82240951
2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide
CID 130763606
7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane
CID 130915029

Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+)?
The IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+) (CID 173482628) is 3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+).
What is the SMILES notation for 3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+)?
The canonical SMILES for 3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+) is O=[C-]N1C2CCNCC1CC2.[Rb+].
What is the InChIKey of 3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+)?
The InChIKey is JKKMUXXNLCJTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2O.Rb/c11-6-10-7-1-2-8(10)5-9-4-3-7;/h7-9H,1-5H2;/q-1;+1.
What are the key properties of 3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+)?
3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+) has a molecular weight of 238.67 g/mol, XLogP of -3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+) is sourced from PubChem (CID 173482628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).