2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane

C13H19N3Si — CID 58498889

IUPAC2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cnc(C2C[C@H]3C[C@H]3N2)[nH]1
InChIInChI=1S/C13H19N3Si/c1-17(2,3)5-4-10-8-14-13(15-10)12-7-9-6-11(9)16-12/h8-9,11-12,16H,6-7H2,1-3H3,(H,14,15)/t9-,11-,12?/m1/s1
InChIKeyBOWAKDWCKRPNSU-DFWSTUSTSA-N
MW245.40 g/mol
LogP2.06
Rot. Bonds1

About 2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane

2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane (PubChem CID 58498889) has the molecular formula C13H19N3Si and a molecular weight of 245.40 g/mol. Its IUPAC name is 2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane
PubChem CID58498889
Molecular FormulaC13H19N3Si
Molecular Weight245.40 g/mol
Exact Mass245.13
IUPAC Name2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cnc(C2C[C@H]3C[C@H]3N2)[nH]1
InChIInChI=1S/C13H19N3Si/c1-17(2,3)5-4-10-8-14-13(15-10)12-7-9-6-11(9)16-12/h8-9,11-12,16H,6-7H2,1-3H3,(H,14,15)/t9-,11-,12?/m1/s1
InChIKeyBOWAKDWCKRPNSU-DFWSTUSTSA-N
XLogP2.06
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane (CID 58498889) is 2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cnc(C2C[C@H]3C[C@H]3N2)[nH]1.
What is the InChIKey of 2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane?
The InChIKey is BOWAKDWCKRPNSU-DFWSTUSTSA-N. The full InChI is InChI=1S/C13H19N3Si/c1-17(2,3)5-4-10-8-14-13(15-10)12-7-9-6-11(9)16-12/h8-9,11-12,16H,6-7H2,1-3H3,(H,14,15)/t9-,11-,12?/m1/s1.
What are the key properties of 2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane?
2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane has a molecular weight of 245.40 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 58498889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).