1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine

C13H23NO2Si — CID 171734787

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine
SMILESCO[Si]1(OC)CCCN1CC1CC2C=CC1C2
InChIInChI=1S/C13H23NO2Si/c1-15-17(16-2)7-3-6-14(17)10-13-9-11-4-5-12(13)8-11/h4-5,11-13H,3,6-10H2,1-2H3
InChIKeyNBDSWIGSKZPGPG-UHFFFAOYSA-N
MW253.42 g/mol
LogP2.14
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine (PubChem CID 171734787) has the molecular formula C13H23NO2Si and a molecular weight of 253.42 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine
PubChem CID171734787
Molecular FormulaC13H23NO2Si
Molecular Weight253.42 g/mol
Exact Mass253.15
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine
SMILESCO[Si]1(OC)CCCN1CC1CC2C=CC1C2
InChIInChI=1S/C13H23NO2Si/c1-15-17(16-2)7-3-6-14(17)10-13-9-11-4-5-12(13)8-11/h4-5,11-13H,3,6-10H2,1-2H3
InChIKeyNBDSWIGSKZPGPG-UHFFFAOYSA-N
XLogP2.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine (CID 171734787) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine is CO[Si]1(OC)CCCN1CC1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine?
The InChIKey is NBDSWIGSKZPGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2Si/c1-15-17(16-2)7-3-6-14(17)10-13-9-11-4-5-12(13)8-11/h4-5,11-13H,3,6-10H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine has a molecular weight of 253.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-dimethoxyazasilolidine is sourced from PubChem (CID 171734787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).