1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol

C17H34N2O2Si2 — CID 91348979

IUPAC1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol
SMILESCC[Si]1(CC)CC[Si](CC)(CC)N1CCCn1c(O)ccc1O
InChIInChI=1S/C17H34N2O2Si2/c1-5-22(6-2)14-15-23(7-3,8-4)19(22)13-9-12-18-16(20)10-11-17(18)21/h10-11,20-21H,5-9,12-15H2,1-4H3
InChIKeyLTDKQIUMTQYLBD-UHFFFAOYSA-N
MW354.64 g/mol
LogP4.58
Rot. Bonds8

About 1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol

1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol (PubChem CID 91348979) has the molecular formula C17H34N2O2Si2 and a molecular weight of 354.64 g/mol. Its IUPAC name is 1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol
PubChem CID91348979
Molecular FormulaC17H34N2O2Si2
Molecular Weight354.64 g/mol
Exact Mass354.22
IUPAC Name1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol
SMILESCC[Si]1(CC)CC[Si](CC)(CC)N1CCCn1c(O)ccc1O
InChIInChI=1S/C17H34N2O2Si2/c1-5-22(6-2)14-15-23(7-3,8-4)19(22)13-9-12-18-16(20)10-11-17(18)21/h10-11,20-21H,5-9,12-15H2,1-4H3
InChIKeyLTDKQIUMTQYLBD-UHFFFAOYSA-N
XLogP4.58
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol
CID 54293191
1-nonylpyrrole-2,5-diol
CID 54200108
1-hexylpyrrole-2,5-diol
CID 54126791
1-(4-bromobutyl)pyrrole-2,5-diol
CID 54510028
7-(2,5-dihydroxypyrrol-1-yl)heptan-2-one
CID 91494577
5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54349223
1-undec-10-enylpyrrole-2,5-diol
CID 54078128
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol
CID 54223521
1-[10-hydroxy-11-(octylamino)undecyl]pyrrole-2,5-diol
CID 54266593
2-[[1-carboxy-15-(2,5-dihydroxypyrrol-1-yl)pentadecyl]disulfanyl]-16-(2,5-dihydroxypyrrol-1-yl)hexadecanoic acid
CID 91162963
3-(2,5-dihydroxypyrrol-1-yl)-2-methylpropanal
CID 123838879
4-[3-(2,5-dihydroxypyrrol-1-yl)propyl]-3-methylbenzaldehyde
CID 123618888

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol?
The IUPAC name of 1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol (CID 91348979) is 1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol is CC[Si]1(CC)CC[Si](CC)(CC)N1CCCn1c(O)ccc1O.
What is the InChIKey of 1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol?
The InChIKey is LTDKQIUMTQYLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2Si2/c1-5-22(6-2)14-15-23(7-3,8-4)19(22)13-9-12-18-16(20)10-11-17(18)21/h10-11,20-21H,5-9,12-15H2,1-4H3.
What are the key properties of 1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol?
1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol has a molecular weight of 354.64 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,5,5-tetraethyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-diol is sourced from PubChem (CID 91348979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).