(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol

C8H13NO2 — CID 139386487

IUPAC(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol
SMILESCC1(C)OC[C@@H]2CC=C(O)N21
InChIInChI=1S/C8H13NO2/c1-8(2)9-6(5-11-8)3-4-7(9)10/h4,6,10H,3,5H2,1-2H3/t6-/m0/s1
InChIKeyQZYNGZRPUMCGSE-LURJTMIESA-N
MW155.20 g/mol
LogP1.23
Rot. Bonds

About (7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol

(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol (PubChem CID 139386487) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol.

Molecular Properties

Compound Name(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol
PubChem CID139386487
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol
SMILESCC1(C)OC[C@@H]2CC=C(O)N21
InChIInChI=1S/C8H13NO2/c1-8(2)9-6(5-11-8)3-4-7(9)10/h4,6,10H,3,5H2,1-2H3/t6-/m0/s1
InChIKeyQZYNGZRPUMCGSE-LURJTMIESA-N
XLogP1.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol?
The IUPAC name of (7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol (CID 139386487) is (7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol.
What is the SMILES notation for (7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol?
The canonical SMILES for (7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol is CC1(C)OC[C@@H]2CC=C(O)N21.
What is the InChIKey of (7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol?
The InChIKey is QZYNGZRPUMCGSE-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2)9-6(5-11-8)3-4-7(9)10/h4,6,10H,3,5H2,1-2H3/t6-/m0/s1.
What are the key properties of (7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol?
(7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol has a molecular weight of 155.20 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol is sourced from PubChem (CID 139386487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).