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

C8H13NO2 — CID 126960860

IUPACspiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]
SMILESC1CC2COC3(COC3)N2C1
InChIInChI=1S/C8H13NO2/c1-2-7-4-11-8(5-10-6-8)9(7)3-1/h7H,1-6H2
InChIKeyVRTYKSKNEMCVTK-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.21
Rot. Bonds

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

spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane] (PubChem CID 126960860) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane].

Molecular Properties

Compound Namespiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]
PubChem CID126960860
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namespiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]
SMILESC1CC2COC3(COC3)N2C1
InChIInChI=1S/C8H13NO2/c1-2-7-4-11-8(5-10-6-8)9(7)3-1/h7H,1-6H2
InChIKeyVRTYKSKNEMCVTK-UHFFFAOYSA-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 spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]?
The IUPAC name of spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane] (CID 126960860) is spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane].
What is the SMILES notation for spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]?
The canonical SMILES for spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane] is C1CC2COC3(COC3)N2C1.
What is the InChIKey of spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]?
The InChIKey is VRTYKSKNEMCVTK-UHFFFAOYSA-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.
What are the key properties of spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane]?
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 spiro[5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,3'-oxetane] is sourced from PubChem (CID 126960860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).