3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate

C6H9NO3 — CID 140536555

IUPAC3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate
SMILESO=C(O)OC1C2CNCC21
InChIInChI=1S/C6H9NO3/c8-6(9)10-5-3-1-7-2-4(3)5/h3-5,7H,1-2H2,(H,8,9)
InChIKeyIYSOOHZBVMEWDC-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.10
Rot. Bonds1

About 3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate

3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate (PubChem CID 140536555) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate
PubChem CID140536555
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate
SMILESO=C(O)OC1C2CNCC21
InChIInChI=1S/C6H9NO3/c8-6(9)10-5-3-1-7-2-4(3)5/h3-5,7H,1-2H2,(H,8,9)
InChIKeyIYSOOHZBVMEWDC-UHFFFAOYSA-N
XLogP-0.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate?
The IUPAC name of 3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate (CID 140536555) is 3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate?
The canonical SMILES for 3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate is O=C(O)OC1C2CNCC21.
What is the InChIKey of 3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate?
The InChIKey is IYSOOHZBVMEWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-6(9)10-5-3-1-7-2-4(3)5/h3-5,7H,1-2H2,(H,8,9).
What are the key properties of 3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate?
3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate has a molecular weight of 143.14 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate is sourced from PubChem (CID 140536555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).