[(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate

C12H13NO3 — CID 90132201

IUPAC[(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate
SMILESO=C(Oc1ccccn1)OC1C[C@@H]2C[C@@H]2C1
InChIInChI=1S/C12H13NO3/c14-12(16-11-3-1-2-4-13-11)15-10-6-8-5-9(8)7-10/h1-4,8-10H,5-7H2/t8-,9+,10?
InChIKeyBMXMCEWDXCCGIA-ULKQDVFKSA-N
MW219.24 g/mol
LogP2.40
Rot. Bonds2

About [(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate

[(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate (PubChem CID 90132201) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is [(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate.

Molecular Properties

Compound Name[(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate
PubChem CID90132201
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name[(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate
SMILESO=C(Oc1ccccn1)OC1C[C@@H]2C[C@@H]2C1
InChIInChI=1S/C12H13NO3/c14-12(16-11-3-1-2-4-13-11)15-10-6-8-5-9(8)7-10/h1-4,8-10H,5-7H2/t8-,9+,10?
InChIKeyBMXMCEWDXCCGIA-ULKQDVFKSA-N
XLogP2.40
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate?
The IUPAC name of [(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate (CID 90132201) is [(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate.
What is the SMILES notation for [(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate?
The canonical SMILES for [(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate is O=C(Oc1ccccn1)OC1C[C@@H]2C[C@@H]2C1.
What is the InChIKey of [(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate?
The InChIKey is BMXMCEWDXCCGIA-ULKQDVFKSA-N. The full InChI is InChI=1S/C12H13NO3/c14-12(16-11-3-1-2-4-13-11)15-10-6-8-5-9(8)7-10/h1-4,8-10H,5-7H2/t8-,9+,10?.
What are the key properties of [(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate?
[(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate has a molecular weight of 219.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate is sourced from PubChem (CID 90132201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).