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

C7H11NO2 — CID 89301068

IUPAC(6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC[C@H]1C[C@H]2COCN2C1=O
InChIInChI=1S/C7H11NO2/c1-5-2-6-3-10-4-8(6)7(5)9/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyNOXCGAKPUHTILE-WDSKDSINSA-N
MW141.17 g/mol
LogP0.21
Rot. Bonds

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

(6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 89301068) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID89301068
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC[C@H]1C[C@H]2COCN2C1=O
InChIInChI=1S/C7H11NO2/c1-5-2-6-3-10-4-8(6)7(5)9/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyNOXCGAKPUHTILE-WDSKDSINSA-N
XLogP0.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 89301068) is (6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is C[C@H]1C[C@H]2COCN2C1=O.
What is the InChIKey of (6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is NOXCGAKPUHTILE-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-2-6-3-10-4-8(6)7(5)9/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
(6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 89301068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).