3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+)

C13H19N2ORb — CID 162257143

IUPAC3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+)
SMILESCC.CC1NC(C)c2ccccc2[N-]C1=O.[Rb+]
InChIInChI=1S/C11H14N2O.C2H6.Rb/c1-7-9-5-3-4-6-10(9)13-11(14)8(2)12-7;1-2;/h3-8,12H,1-2H3,(H,13,14);1-2H3;/q;;+1/p-1
InChIKeyZYSZRSHFOMQKDZ-UHFFFAOYSA-M
MW304.78 g/mol
LogP0.30
Rot. Bonds

About 3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+)

3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+) (PubChem CID 162257143) has the molecular formula C13H19N2ORb and a molecular weight of 304.78 g/mol. Its IUPAC name is 3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+).

Molecular Properties

Compound Name3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+)
PubChem CID162257143
Molecular FormulaC13H19N2ORb
Molecular Weight304.78 g/mol
Exact Mass304.06
IUPAC Name3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+)
SMILESCC.CC1NC(C)c2ccccc2[N-]C1=O.[Rb+]
InChIInChI=1S/C11H14N2O.C2H6.Rb/c1-7-9-5-3-4-6-10(9)13-11(14)8(2)12-7;1-2;/h3-8,12H,1-2H3,(H,13,14);1-2H3;/q;;+1/p-1
InChIKeyZYSZRSHFOMQKDZ-UHFFFAOYSA-M
XLogP0.30
TPSA43.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+) with MolForge

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Launch Full Analysis

Related Compounds

ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+))
CID 159390566
1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one
CID 20720956
rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one
CID 59055279
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
2,2-difluoro-3-methyl-3H-inden-1-one
CID 130383048
4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline
CID 175633584
3-hydroxy-3,4-dimethyl-4H-isochromen-1-one
CID 134855236
3-tert-butyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;rubidium(1+)
CID 58765126
ethane;1-methyl-1,3-dihydroinden-2-one
CID 91072401
1,2-dimethyl-1H-2-benzoborol-3-one
CID 163493162
5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+)
CID 143227751
(3S,4S)-3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 124583389

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+)?
The IUPAC name of 3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+) (CID 162257143) is 3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+).
What is the SMILES notation for 3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+)?
The canonical SMILES for 3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+) is CC.CC1NC(C)c2ccccc2[N-]C1=O.[Rb+].
What is the InChIKey of 3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+)?
The InChIKey is ZYSZRSHFOMQKDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N2O.C2H6.Rb/c1-7-9-5-3-4-6-10(9)13-11(14)8(2)12-7;1-2;/h3-8,12H,1-2H3,(H,13,14);1-2H3;/q;;+1/p-1.
What are the key properties of 3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+)?
3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+) has a molecular weight of 304.78 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-id-2-one;ethane;rubidium(1+) is sourced from PubChem (CID 162257143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).