3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate

C25H39BF4NO2P2Rh- — CID 91999546

IUPAC3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate
SMILESC1=CCCC=CCC1.CC1CCC(C)P1C1=C(P2C(C)CCC2C)C(=O)N(C)C1=O.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C17H27NO2P2.C8H12.BF4.Rh/c1-10-6-7-11(2)21(10)14-15(17(20)18(5)16(14)19)22-12(3)8-9-13(22)4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h10-13H,6-9H2,1-5H3;1-2,7-8H,3-6H2;;/q;;-1;
InChIKeyQUGMMPYXRPQXEN-UHFFFAOYSA-N
MW637.25 g/mol
LogP8.27
Rot. Bonds2

About 3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate

3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate (PubChem CID 91999546) has the molecular formula C25H39BF4NO2P2Rh- and a molecular weight of 637.25 g/mol. Its IUPAC name is 3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate.

Molecular Properties

Compound Name3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate
PubChem CID91999546
Molecular FormulaC25H39BF4NO2P2Rh-
Molecular Weight637.25 g/mol
Exact Mass637.15
IUPAC Name3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate
SMILESC1=CCCC=CCC1.CC1CCC(C)P1C1=C(P2C(C)CCC2C)C(=O)N(C)C1=O.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C17H27NO2P2.C8H12.BF4.Rh/c1-10-6-7-11(2)21(10)14-15(17(20)18(5)16(14)19)22-12(3)8-9-13(22)4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h10-13H,6-9H2,1-5H3;1-2,7-8H,3-6H2;;/q;;-1;
InChIKeyQUGMMPYXRPQXEN-UHFFFAOYSA-N
XLogP8.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.25
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate?
The IUPAC name of 3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate (CID 91999546) is 3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate.
What is the SMILES notation for 3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate?
The canonical SMILES for 3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate is C1=CCCC=CCC1.CC1CCC(C)P1C1=C(P2C(C)CCC2C)C(=O)N(C)C1=O.F[B-](F)(F)F.[Rh].
What is the InChIKey of 3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate?
The InChIKey is QUGMMPYXRPQXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2P2.C8H12.BF4.Rh/c1-10-6-7-11(2)21(10)14-15(17(20)18(5)16(14)19)22-12(3)8-9-13(22)4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h10-13H,6-9H2,1-5H3;1-2,7-8H,3-6H2;;/q;;-1;.
What are the key properties of 3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate?
3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate has a molecular weight of 637.25 g/mol, XLogP of 8.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2,5-dimethylphospholan-1-yl)-1-methylpyrrole-2,5-dione;cycloocta-1,5-diene;rhodium;tetrafluoroborate is sourced from PubChem (CID 91999546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).