6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+)

C9H15N2ORb — CID 59793774

IUPAC6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+)
SMILESCC1C(=O)CC2C[N-]CC1N2C.[Rb+]
InChIInChI=1S/C9H15N2O.Rb/c1-6-8-5-10-4-7(11(8)2)3-9(6)12;/h6-8H,3-5H2,1-2H3;/q-1;+1
InChIKeyLRUIVPRSGMRWFX-UHFFFAOYSA-N
MW252.70 g/mol
LogP-2.34
Rot. Bonds

About 6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+)

6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+) (PubChem CID 59793774) has the molecular formula C9H15N2ORb and a molecular weight of 252.70 g/mol. Its IUPAC name is 6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+).

Molecular Properties

Compound Name6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+)
PubChem CID59793774
Molecular FormulaC9H15N2ORb
Molecular Weight252.70 g/mol
Exact Mass252.03
IUPAC Name6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+)
SMILESCC1C(=O)CC2C[N-]CC1N2C.[Rb+]
InChIInChI=1S/C9H15N2O.Rb/c1-6-8-5-10-4-7(11(8)2)3-9(6)12;/h6-8H,3-5H2,1-2H3;/q-1;+1
InChIKeyLRUIVPRSGMRWFX-UHFFFAOYSA-N
XLogP-2.34
TPSA34.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+)?
The IUPAC name of 6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+) (CID 59793774) is 6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+).
What is the SMILES notation for 6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+)?
The canonical SMILES for 6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+) is CC1C(=O)CC2C[N-]CC1N2C.[Rb+].
What is the InChIKey of 6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+)?
The InChIKey is LRUIVPRSGMRWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O.Rb/c1-6-8-5-10-4-7(11(8)2)3-9(6)12;/h6-8H,3-5H2,1-2H3;/q-1;+1.
What are the key properties of 6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+)?
6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+) has a molecular weight of 252.70 g/mol, XLogP of -2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+) is sourced from PubChem (CID 59793774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).