ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+)

C13H18NORb — CID 145270202

IUPACethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+)
SMILESCC.CCc1ccc2c(c1)C(=O)[N-]CC2.[Rb+]
InChIInChI=1S/C11H13NO.C2H6.Rb/c1-2-8-3-4-9-5-6-12-11(13)10(9)7-8;1-2;/h3-4,7H,2,5-6H2,1H3,(H,12,13);1-2H3;/q;;+1/p-1
InChIKeyCNJKPTVTNPUAJU-UHFFFAOYSA-M
MW289.76 g/mol
LogP0.35
Rot. Bonds1

About ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+)

ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+) (PubChem CID 145270202) has the molecular formula C13H18NORb and a molecular weight of 289.76 g/mol. Its IUPAC name is ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+).

Molecular Properties

Compound Nameethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+)
PubChem CID145270202
Molecular FormulaC13H18NORb
Molecular Weight289.76 g/mol
Exact Mass289.05
IUPAC Nameethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+)
SMILESCC.CCc1ccc2c(c1)C(=O)[N-]CC2.[Rb+]
InChIInChI=1S/C11H13NO.C2H6.Rb/c1-2-8-3-4-9-5-6-12-11(13)10(9)7-8;1-2;/h3-4,7H,2,5-6H2,1H3,(H,12,13);1-2H3;/q;;+1/p-1
InChIKeyCNJKPTVTNPUAJU-UHFFFAOYSA-M
XLogP0.35
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one
CID 143747856
7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82076590
(NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 82074881
2,6-diethylanthracene-9,10-dione
CID 130464580
7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 84618710
6-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 22117289
2-(7-ethyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82055331
2-bromo-6-ethyl-2-methyl-3H-inden-1-one
CID 174917020
7-ethyl-3,4-dihydronaphthalene-1-carbonitrile
CID 82075141
(NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 12699412
ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene
CID 169195757
6-ethyl-2-propan-2-yl-3H-isoindol-1-one
CID 71066779

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+)?
The IUPAC name of ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+) (CID 145270202) is ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+).
What is the SMILES notation for ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+)?
The canonical SMILES for ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+) is CC.CCc1ccc2c(c1)C(=O)[N-]CC2.[Rb+].
What is the InChIKey of ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+)?
The InChIKey is CNJKPTVTNPUAJU-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13NO.C2H6.Rb/c1-2-8-3-4-9-5-6-12-11(13)10(9)7-8;1-2;/h3-4,7H,2,5-6H2,1H3,(H,12,13);1-2H3;/q;;+1/p-1.
What are the key properties of ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+)?
ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+) has a molecular weight of 289.76 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+) is sourced from PubChem (CID 145270202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).