chlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid

C15H23ClNO2Ru — CID 11111797

IUPACchlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid
SMILESCc1ccc(C(C)C)cc1.Cl[Ru].O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C10H14.C5H9NO2.ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;7-5(8)4-2-1-3-6-4;;/h4-8H,1-3H3;4,6H,1-3H2,(H,7,8);1H;/q;;;+1/p-1/t;4-;;/m.0../s1
InChIKeyIBXDOPIRDXCHCT-HWBXBCIZSA-M
MW385.88 g/mol
LogP3.63
Rot. Bonds2

About chlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid

chlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 11111797) has the molecular formula C15H23ClNO2Ru and a molecular weight of 385.88 g/mol. Its IUPAC name is chlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Namechlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID11111797
Molecular FormulaC15H23ClNO2Ru
Molecular Weight385.88 g/mol
Exact Mass386.05
IUPAC Namechlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid
SMILESCc1ccc(C(C)C)cc1.Cl[Ru].O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C10H14.C5H9NO2.ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;7-5(8)4-2-1-3-6-4;;/h4-8H,1-3H3;4,6H,1-3H2,(H,7,8);1H;/q;;;+1/p-1/t;4-;;/m.0../s1
InChIKeyIBXDOPIRDXCHCT-HWBXBCIZSA-M
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid
CID 70124841
4-methylbenzenesulfonic acid;(2R)-pyrrolidine-2-carboxylic acid
CID 87577597
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
N-[2-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119330379
methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284

Frequently Asked Questions

What is the IUPAC name of chlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of chlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid (CID 11111797) is chlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for chlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for chlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid is Cc1ccc(C(C)C)cc1.Cl[Ru].O=C(O)[C@@H]1CCCN1.
What is the InChIKey of chlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is IBXDOPIRDXCHCT-HWBXBCIZSA-M. The full InChI is InChI=1S/C10H14.C5H9NO2.ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;7-5(8)4-2-1-3-6-4;;/h4-8H,1-3H3;4,6H,1-3H2,(H,7,8);1H;/q;;;+1/p-1/t;4-;;/m.0../s1.
What are the key properties of chlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid?
chlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 385.88 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium;1-methyl-4-propan-2-ylbenzene;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11111797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).