(7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]

C8H13NO2 — CID 124702224

IUPAC(7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]
SMILESC1C[C@@H]2COC3(COC3)N2C1
InChIInChI=1S/C8H13NO2/c1-2-7-4-11-8(5-10-6-8)9(7)3-1/h7H,1-6H2/t7-/m1/s1
InChIKeyVRTYKSKNEMCVTK-SSDOTTSWSA-N
MW155.20 g/mol
LogP0.21
Rot. Bonds

About (7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]

(7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane] (PubChem CID 124702224) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane].

Molecular Properties

Compound Name(7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]
PubChem CID124702224
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]
SMILESC1C[C@@H]2COC3(COC3)N2C1
InChIInChI=1S/C8H13NO2/c1-2-7-4-11-8(5-10-6-8)9(7)3-1/h7H,1-6H2/t7-/m1/s1
InChIKeyVRTYKSKNEMCVTK-SSDOTTSWSA-N
XLogP0.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]?
The IUPAC name of (7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane] (CID 124702224) is (7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane].
What is the SMILES notation for (7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]?
The canonical SMILES for (7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane] is C1C[C@@H]2COC3(COC3)N2C1.
What is the InChIKey of (7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]?
The InChIKey is VRTYKSKNEMCVTK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-7-4-11-8(5-10-6-8)9(7)3-1/h7H,1-6H2/t7-/m1/s1.
What are the key properties of (7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]?
(7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane] has a molecular weight of 155.20 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane] is sourced from PubChem (CID 124702224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).