(7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one

C6H9NO2 — CID 90153359

IUPAC(7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one
SMILESO=C1OCN2CCC[C@@H]12
InChIInChI=1S/C6H9NO2/c8-6-5-2-1-3-7(5)4-9-6/h5H,1-4H2/t5-/m0/s1
InChIKeyWEYWTPHWLVLSPP-YFKPBYRVSA-N
MW127.14 g/mol
LogP-0.03
Rot. Bonds

About (7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one

(7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one (PubChem CID 90153359) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one.

Molecular Properties

Compound Name(7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one
PubChem CID90153359
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one
SMILESO=C1OCN2CCC[C@@H]12
InChIInChI=1S/C6H9NO2/c8-6-5-2-1-3-7(5)4-9-6/h5H,1-4H2/t5-/m0/s1
InChIKeyWEYWTPHWLVLSPP-YFKPBYRVSA-N
XLogP-0.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one?
The IUPAC name of (7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one (CID 90153359) is (7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one.
What is the SMILES notation for (7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one?
The canonical SMILES for (7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one is O=C1OCN2CCC[C@@H]12.
What is the InChIKey of (7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one?
The InChIKey is WEYWTPHWLVLSPP-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6-5-2-1-3-7(5)4-9-6/h5H,1-4H2/t5-/m0/s1.
What are the key properties of (7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one?
(7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one has a molecular weight of 127.14 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one is sourced from PubChem (CID 90153359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).