2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol

C14H26N2O2Si — CID 91458229

IUPAC2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol
SMILESCN(CCCn1c(O)c2c(c1O)CCC2)[Si](C)(C)C
InChIInChI=1S/C14H26N2O2Si/c1-15(19(2,3)4)9-6-10-16-13(17)11-7-5-8-12(11)14(16)18/h17-18H,5-10H2,1-4H3
InChIKeyWXQILEGVKHDAIQ-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.54
Rot. Bonds5

About 2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol

2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol (PubChem CID 91458229) has the molecular formula C14H26N2O2Si and a molecular weight of 282.46 g/mol. Its IUPAC name is 2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol.

Molecular Properties

Compound Name2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol
PubChem CID91458229
Molecular FormulaC14H26N2O2Si
Molecular Weight282.46 g/mol
Exact Mass282.18
IUPAC Name2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol
SMILESCN(CCCn1c(O)c2c(c1O)CCC2)[Si](C)(C)C
InChIInChI=1S/C14H26N2O2Si/c1-15(19(2,3)4)9-6-10-16-13(17)11-7-5-8-12(11)14(16)18/h17-18H,5-10H2,1-4H3
InChIKeyWXQILEGVKHDAIQ-UHFFFAOYSA-N
XLogP2.54
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol?
The IUPAC name of 2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol (CID 91458229) is 2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol.
What is the SMILES notation for 2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol?
The canonical SMILES for 2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol is CN(CCCn1c(O)c2c(c1O)CCC2)[Si](C)(C)C.
What is the InChIKey of 2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol?
The InChIKey is WXQILEGVKHDAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2Si/c1-15(19(2,3)4)9-6-10-16-13(17)11-7-5-8-12(11)14(16)18/h17-18H,5-10H2,1-4H3.
What are the key properties of 2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol?
2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol has a molecular weight of 282.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(trimethylsilyl)amino]propyl]-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol is sourced from PubChem (CID 91458229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).