(7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione

C6H7NO3 — CID 10678335

IUPAC(7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione
SMILESO=C1CC[C@H]2COC(=O)N12
InChIInChI=1S/C6H7NO3/c8-5-2-1-4-3-10-6(9)7(4)5/h4H,1-3H2/t4-/m0/s1
InChIKeyBCJBJKPQPSYMKW-BYPYZUCNSA-N
MW141.13 g/mol
LogP0.13
Rot. Bonds

About (7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione

(7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione (PubChem CID 10678335) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is (7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione.

Molecular Properties

Compound Name(7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione
PubChem CID10678335
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name(7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione
SMILESO=C1CC[C@H]2COC(=O)N12
InChIInChI=1S/C6H7NO3/c8-5-2-1-4-3-10-6(9)7(4)5/h4H,1-3H2/t4-/m0/s1
InChIKeyBCJBJKPQPSYMKW-BYPYZUCNSA-N
XLogP0.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione?
The IUPAC name of (7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione (CID 10678335) is (7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione.
What is the SMILES notation for (7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione?
The canonical SMILES for (7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione is O=C1CC[C@H]2COC(=O)N12.
What is the InChIKey of (7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione?
The InChIKey is BCJBJKPQPSYMKW-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H7NO3/c8-5-2-1-4-3-10-6(9)7(4)5/h4H,1-3H2/t4-/m0/s1.
What are the key properties of (7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione?
(7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione has a molecular weight of 141.13 g/mol, XLogP of 0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione is sourced from PubChem (CID 10678335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).