(7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione

C6H7NO3 — CID 126625936

IUPAC(7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione
SMILESO=C1CC(=O)N2COC[C@H]12
InChIInChI=1S/C6H7NO3/c8-5-1-6(9)7-3-10-2-4(5)7/h4H,1-3H2/t4-/m1/s1
InChIKeySUTHNGMTXAKKGL-SCSAIBSYSA-N
MW141.13 g/mol
LogP-0.86
Rot. Bonds

About (7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione

(7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione (PubChem CID 126625936) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is (7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione.

Molecular Properties

Compound Name(7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione
PubChem CID126625936
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name(7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione
SMILESO=C1CC(=O)N2COC[C@H]12
InChIInChI=1S/C6H7NO3/c8-5-1-6(9)7-3-10-2-4(5)7/h4H,1-3H2/t4-/m1/s1
InChIKeySUTHNGMTXAKKGL-SCSAIBSYSA-N
XLogP-0.86
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 ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione?
The IUPAC name of (7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione (CID 126625936) is (7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione.
What is the SMILES notation for (7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione?
The canonical SMILES for (7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione is O=C1CC(=O)N2COC[C@H]12.
What is the InChIKey of (7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione?
The InChIKey is SUTHNGMTXAKKGL-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-5-1-6(9)7-3-10-2-4(5)7/h4H,1-3H2/t4-/m1/s1.
What are the key properties of (7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione?
(7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione has a molecular weight of 141.13 g/mol, XLogP of -0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-5,7-dione is sourced from PubChem (CID 126625936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).