1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane

C9H17GeNO3 — CID 16695544

IUPAC1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
SMILESC=CC[Ge]12OCCN(CCO1)CCO2
InChIInChI=1S/C9H17GeNO3/c1-2-3-10-12-7-4-11(5-8-13-10)6-9-14-10/h2H,1,3-9H2
InChIKeyMPJMDNJEKQCSHD-UHFFFAOYSA-N
MW259.85 g/mol
LogP0.49
Rot. Bonds2

About 1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane

1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane (PubChem CID 16695544) has the molecular formula C9H17GeNO3 and a molecular weight of 259.85 g/mol. Its IUPAC name is 1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane.

Molecular Properties

Compound Name1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
PubChem CID16695544
Molecular FormulaC9H17GeNO3
Molecular Weight259.85 g/mol
Exact Mass261.04
IUPAC Name1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
SMILESC=CC[Ge]12OCCN(CCO1)CCO2
InChIInChI=1S/C9H17GeNO3/c1-2-3-10-12-7-4-11(5-8-13-10)6-9-14-10/h2H,1,3-9H2
InChIKeyMPJMDNJEKQCSHD-UHFFFAOYSA-N
XLogP0.49
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.85
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The IUPAC name of 1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane (CID 16695544) is 1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane.
What is the SMILES notation for 1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The canonical SMILES for 1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane is C=CC[Ge]12OCCN(CCO1)CCO2.
What is the InChIKey of 1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The InChIKey is MPJMDNJEKQCSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17GeNO3/c1-2-3-10-12-7-4-11(5-8-13-10)6-9-14-10/h2H,1,3-9H2.
What are the key properties of 1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane has a molecular weight of 259.85 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane is sourced from PubChem (CID 16695544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).