dicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one

C34H43Cl4Cs2N5O10 — CID 159233138

IUPACdicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one
SMILESC.C.Cc1ccc(N2CCCC2=O)c(Cl)c1.O=C1CCCN1.O=C1CCCN1c1ccc([N+](=O)[O-])cc1Cl.O=CO[O-].O=[N+]([O-])c1ccc(Cl)c(Cl)c1.[Cs+].[Cs+].[H-].[H][H]
InChIInChI=1S/C11H12ClNO.C10H9ClN2O3.C6H3Cl2NO2.C4H7NO.CH2O3.2CH4.2Cs.H2.H/c1-8-4-5-10(9(12)7-8)13-6-2-3-11(13)14;11-8-6-7(13(15)16)3-4-9(8)12-5-1-2-10(12)14;7-5-2-1-4(9(10)11)3-6(5)8;6-4-2-1-3-5-4;2-1-4-3;;;;;;/h4-5,7H,2-3,6H2,1H3;3-4,6H,1-2,5H2;1-3H;1-3H2,(H,5,6);1,3H;2*1H4;;;1H;/q;;;;;;;2*+1;;-1/p-1
InChIKeyUVJQUVPVSVZJRD-UHFFFAOYSA-M
MW1089.36 g/mol
LogP2.02
Rot. Bonds5

About dicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one

dicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one (PubChem CID 159233138) has the molecular formula C34H43Cl4Cs2N5O10 and a molecular weight of 1089.36 g/mol. Its IUPAC name is dicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one.

Molecular Properties

Compound Namedicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one
PubChem CID159233138
Molecular FormulaC34H43Cl4Cs2N5O10
Molecular Weight1089.36 g/mol
Exact Mass1086.99
IUPAC Namedicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one
SMILESC.C.Cc1ccc(N2CCCC2=O)c(Cl)c1.O=C1CCCN1.O=C1CCCN1c1ccc([N+](=O)[O-])cc1Cl.O=CO[O-].O=[N+]([O-])c1ccc(Cl)c(Cl)c1.[Cs+].[Cs+].[H-].[H][H]
InChIInChI=1S/C11H12ClNO.C10H9ClN2O3.C6H3Cl2NO2.C4H7NO.CH2O3.2CH4.2Cs.H2.H/c1-8-4-5-10(9(12)7-8)13-6-2-3-11(13)14;11-8-6-7(13(15)16)3-4-9(8)12-5-1-2-10(12)14;7-5-2-1-4(9(10)11)3-6(5)8;6-4-2-1-3-5-4;2-1-4-3;;;;;;/h4-5,7H,2-3,6H2,1H3;3-4,6H,1-2,5H2;1-3H;1-3H2,(H,5,6);1,3H;2*1H4;;;1H;/q;;;;;;;2*+1;;-1/p-1
InChIKeyUVJQUVPVSVZJRD-UHFFFAOYSA-M
XLogP2.02
TPSA205.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001089.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686600
N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30400695
4-(2-chloro-4-nitrophenyl)morpholin-3-one
CID 69051891
1-(2-hydroxy-4-nitrophenyl)piperidin-2-one
CID 58962790
1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate
CID 158520886
2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7687142
1-(4-amino-2,5-dimethylphenyl)piperidin-2-one;1-bromo-2,5-dimethyl-4-nitrobenzene;1-(2,5-dimethyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;piperidin-2-one
CID 158838925
1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102942629
1-(2-hydroxy-5-methylphenyl)pyrrolidin-2-one
CID 130034665
1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 58845272
1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one
CID 63090019

Frequently Asked Questions

What is the IUPAC name of dicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one?
The IUPAC name of dicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one (CID 159233138) is dicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one.
What is the SMILES notation for dicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one?
The canonical SMILES for dicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one is C.C.Cc1ccc(N2CCCC2=O)c(Cl)c1.O=C1CCCN1.O=C1CCCN1c1ccc([N+](=O)[O-])cc1Cl.O=CO[O-].O=[N+]([O-])c1ccc(Cl)c(Cl)c1.[Cs+].[Cs+].[H-].[H][H].
What is the InChIKey of dicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one?
The InChIKey is UVJQUVPVSVZJRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12ClNO.C10H9ClN2O3.C6H3Cl2NO2.C4H7NO.CH2O3.2CH4.2Cs.H2.H/c1-8-4-5-10(9(12)7-8)13-6-2-3-11(13)14;11-8-6-7(13(15)16)3-4-9(8)12-5-1-2-10(12)14;7-5-2-1-4(9(10)11)3-6(5)8;6-4-2-1-3-5-4;2-1-4-3;;;;;;/h4-5,7H,2-3,6H2,1H3;3-4,6H,1-2,5H2;1-3H;1-3H2,(H,5,6);1,3H;2*1H4;;;1H;/q;;;;;;;2*+1;;-1/p-1.
What are the key properties of dicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one?
dicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one has a molecular weight of 1089.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;1-(2-chloro-4-methylphenyl)pyrrolidin-2-one;1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one;1,2-dichloro-4-nitrobenzene;hydride;methane;molecular hydrogen;oxido formate;pyrrolidin-2-one is sourced from PubChem (CID 159233138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).