(5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane

C58H104B3F3N5O10P5SSn — CID 158825897

IUPAC(5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(C2=CC3CN(P)CC3C2)OC1(C)C.CC1=CC2CN(P)CC2C1.C[Sn](C)(C)C1=CC2CN(P)CC2C1.O=C1CC2CN(P)CC2C1.O=S(=O)(OC1=CC2CN(P)CC2C1)C(F)(F)F
InChIInChI=1S/C13H23BNO2P.C12H24B2O4.C8H11F3NO3PS.C8H14NP.C7H12NOP.C7H11NP.3CH3.Sn/c1-12(2)13(3,4)17-14(16-12)11-5-9-7-15(18)8-10(9)6-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-8(10,11)17(13,14)15-7-1-5-3-12(16)4-6(5)2-7;1-6-2-7-4-9(10)5-8(7)3-6;9-7-1-5-3-8(10)4-6(5)2-7;9-8-4-6-2-1-3-7(6)5-8;;;;/h5,9-10H,6-8,18H2,1-4H3;1-8H3;1,5-6H,2-4,16H2;2,7-8H,3-5,10H2,1H3;5-6H,1-4,10H2;2,6-7H,3-5,9H2;3*1H3;
InChIKeyIWLKDPBZTVHCFR-UHFFFAOYSA-N
MW1426.57 g/mol
LogP10.91
Rot. Bonds5

About (5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane

(5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane (PubChem CID 158825897) has the molecular formula C58H104B3F3N5O10P5SSn and a molecular weight of 1426.57 g/mol. Its IUPAC name is (5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane.

Molecular Properties

Compound Name(5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane
PubChem CID158825897
Molecular FormulaC58H104B3F3N5O10P5SSn
Molecular Weight1426.57 g/mol
Exact Mass1427.54
IUPAC Name(5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(C2=CC3CN(P)CC3C2)OC1(C)C.CC1=CC2CN(P)CC2C1.C[Sn](C)(C)C1=CC2CN(P)CC2C1.O=C1CC2CN(P)CC2C1.O=S(=O)(OC1=CC2CN(P)CC2C1)C(F)(F)F
InChIInChI=1S/C13H23BNO2P.C12H24B2O4.C8H11F3NO3PS.C8H14NP.C7H12NOP.C7H11NP.3CH3.Sn/c1-12(2)13(3,4)17-14(16-12)11-5-9-7-15(18)8-10(9)6-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-8(10,11)17(13,14)15-7-1-5-3-12(16)4-6(5)2-7;1-6-2-7-4-9(10)5-8(7)3-6;9-7-1-5-3-8(10)4-6(5)2-7;9-8-4-6-2-1-3-7(6)5-8;;;;/h5,9-10H,6-8,18H2,1-4H3;1-8H3;1,5-6H,2-4,16H2;2,7-8H,3-5,10H2,1H3;5-6H,1-4,10H2;2,6-7H,3-5,9H2;3*1H3;
InChIKeyIWLKDPBZTVHCFR-UHFFFAOYSA-N
XLogP10.91
TPSA132.02 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001426.57
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze (5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane with MolForge

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Related Compounds

[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane
CID 58739327
(3aR,6aS)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,4,6a-tetrahydro-1H-pentalen-2-one
CID 164886245
tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexen-1-yl] trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158790732
(1-methyl-3,6-dihydro-2H-pyridin-4-yl) trifluoromethanesulfonate;1-methylpiperidin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
CID 159909322
tert-butyl 5-(trifluoromethylsulfonyloxy)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 89303915
2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-[4-(methoxymethyl)cyclohexyl]cyclohexen-1-yl] trifluoromethanesulfonate
CID 159580066
[(3aS,6aS)-1,3a,4,5,6,6a-hexahydropentalen-2-yl] trifluoromethanesulfonate
CID 129064247
[(3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-yl] trifluoromethanesulfonate
CID 155087969
CID 158324901
CID 158324901
(2S,6R)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 174048069
2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 77476415
2-(6,6-dimethyl-2,3-dihydropyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,6-dimethyl-2,5-dihydropyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis((6,6-dimethyl-2,3-dihydropyran-4-yl) trifluoromethanesulfonate);bis((6,6-dimethyl-2,5-dihydropyran-4-yl) trifluoromethanesulfonate);2,2-dimethyloxan-4-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157479312

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane?
The IUPAC name of (5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane (CID 158825897) is (5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane.
What is the SMILES notation for (5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane?
The canonical SMILES for (5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(C2=CC3CN(P)CC3C2)OC1(C)C.CC1=CC2CN(P)CC2C1.C[Sn](C)(C)C1=CC2CN(P)CC2C1.O=C1CC2CN(P)CC2C1.O=S(=O)(OC1=CC2CN(P)CC2C1)C(F)(F)F.
What is the InChIKey of (5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane?
The InChIKey is IWLKDPBZTVHCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BNO2P.C12H24B2O4.C8H11F3NO3PS.C8H14NP.C7H12NOP.C7H11NP.3CH3.Sn/c1-12(2)13(3,4)17-14(16-12)11-5-9-7-15(18)8-10(9)6-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-8(10,11)17(13,14)15-7-1-5-3-12(16)4-6(5)2-7;1-6-2-7-4-9(10)5-8(7)3-6;9-7-1-5-3-8(10)4-6(5)2-7;9-8-4-6-2-1-3-7(6)5-8;;;;/h5,9-10H,6-8,18H2,1-4H3;1-8H3;1,5-6H,2-4,16H2;2,7-8H,3-5,10H2,1H3;5-6H,1-4,10H2;2,6-7H,3-5,9H2;3*1H3;.
What are the key properties of (5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane?
(5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane has a molecular weight of 1426.57 g/mol, XLogP of 10.91, 5 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane;2-phosphanyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one;(2-phosphanyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl) trifluoromethanesulfonate;[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;(5-trimethylstannyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl)phosphane is sourced from PubChem (CID 158825897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).