[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane

C13H23BNO2P — CID 58739327

IUPAC[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane
SMILESCC1(C)OB(C2=CC3CN(P)CC3C2)OC1(C)C
InChIInChI=1S/C13H23BNO2P/c1-12(2)13(3,4)17-14(16-12)11-5-9-7-15(18)8-10(9)6-11/h5,9-10H,6-8,18H2,1-4H3
InChIKeyMTGKGIXHHBTZEY-UHFFFAOYSA-N
MW267.12 g/mol
LogP2.29
Rot. Bonds1

About [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane

[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane (PubChem CID 58739327) has the molecular formula C13H23BNO2P and a molecular weight of 267.12 g/mol. Its IUPAC name is [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane.

Molecular Properties

Compound Name[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane
PubChem CID58739327
Molecular FormulaC13H23BNO2P
Molecular Weight267.12 g/mol
Exact Mass267.16
IUPAC Name[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane
SMILESCC1(C)OB(C2=CC3CN(P)CC3C2)OC1(C)C
InChIInChI=1S/C13H23BNO2P/c1-12(2)13(3,4)17-14(16-12)11-5-9-7-15(18)8-10(9)6-11/h5,9-10H,6-8,18H2,1-4H3
InChIKeyMTGKGIXHHBTZEY-UHFFFAOYSA-N
XLogP2.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane?
The IUPAC name of [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) is [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane.
What is the SMILES notation for [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane?
The canonical SMILES for [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane is CC1(C)OB(C2=CC3CN(P)CC3C2)OC1(C)C.
What is the InChIKey of [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane?
The InChIKey is MTGKGIXHHBTZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BNO2P/c1-12(2)13(3,4)17-14(16-12)11-5-9-7-15(18)8-10(9)6-11/h5,9-10H,6-8,18H2,1-4H3.
What are the key properties of [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane?
[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane has a molecular weight of 267.12 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]phosphane is sourced from PubChem (CID 58739327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).