rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one

C13H16NORb — CID 59055279

IUPACrubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one
SMILESCC1[N-]C(=O)C(C)C(C)c2ccccc21.[Rb+]
InChIInChI=1S/C13H17NO.Rb/c1-8-9(2)13(15)14-10(3)12-7-5-4-6-11(8)12;/h4-10H,1-3H3,(H,14,15);/q;+1/p-1
InChIKeyDFGYXVRRLIIKOH-UHFFFAOYSA-M
MW287.75 g/mol
LogP0.41
Rot. Bonds

About rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one

rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one (PubChem CID 59055279) has the molecular formula C13H16NORb and a molecular weight of 287.75 g/mol. Its IUPAC name is rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one.

Molecular Properties

Compound Namerubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one
PubChem CID59055279
Molecular FormulaC13H16NORb
Molecular Weight287.75 g/mol
Exact Mass287.03
IUPAC Namerubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one
SMILESCC1[N-]C(=O)C(C)C(C)c2ccccc21.[Rb+]
InChIInChI=1S/C13H17NO.Rb/c1-8-9(2)13(15)14-10(3)12-7-5-4-6-11(8)12;/h4-10H,1-3H3,(H,14,15);/q;+1/p-1
InChIKeyDFGYXVRRLIIKOH-UHFFFAOYSA-M
XLogP0.41
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3,4-dimethyl-3,4-dihydronaphthalene-1,2-dione
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3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+)
CID 162257143
8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 12561909
8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 45084610
3,4-dimethylpyrrolidin-1-ide-2,5-dione;yttrium
CID 59957086
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
1,2-dimethyl-1H-2-benzoborol-3-one
CID 163493162
(2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one
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Frequently Asked Questions

What is the IUPAC name of rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one?
The IUPAC name of rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one (CID 59055279) is rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one.
What is the SMILES notation for rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one?
The canonical SMILES for rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one is CC1[N-]C(=O)C(C)C(C)c2ccccc21.[Rb+].
What is the InChIKey of rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one?
The InChIKey is DFGYXVRRLIIKOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17NO.Rb/c1-8-9(2)13(15)14-10(3)12-7-5-4-6-11(8)12;/h4-10H,1-3H3,(H,14,15);/q;+1/p-1.
What are the key properties of rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one?
rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one has a molecular weight of 287.75 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one is sourced from PubChem (CID 59055279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).