(7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one

C8H11NO2 — CID 89243051

IUPAC(7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one
SMILESCC1=C[C@@]2(C)COC(=O)N2C1
InChIInChI=1S/C8H11NO2/c1-6-3-8(2)5-11-7(10)9(8)4-6/h3H,4-5H2,1-2H3/t8-/m0/s1
InChIKeyMGIYYONLHRYAHJ-QMMMGPOBSA-N
MW153.18 g/mol
LogP1.16
Rot. Bonds

About (7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one

(7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one (PubChem CID 89243051) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one.

Molecular Properties

Compound Name(7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one
PubChem CID89243051
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one
SMILESCC1=C[C@@]2(C)COC(=O)N2C1
InChIInChI=1S/C8H11NO2/c1-6-3-8(2)5-11-7(10)9(8)4-6/h3H,4-5H2,1-2H3/t8-/m0/s1
InChIKeyMGIYYONLHRYAHJ-QMMMGPOBSA-N
XLogP1.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one?
The IUPAC name of (7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one (CID 89243051) is (7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one.
What is the SMILES notation for (7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one?
The canonical SMILES for (7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one is CC1=C[C@@]2(C)COC(=O)N2C1.
What is the InChIKey of (7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one?
The InChIKey is MGIYYONLHRYAHJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-3-8(2)5-11-7(10)9(8)4-6/h3H,4-5H2,1-2H3/t8-/m0/s1.
What are the key properties of (7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one?
(7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one has a molecular weight of 153.18 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one is sourced from PubChem (CID 89243051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).