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

C10H19NO2 — CID 155671105

IUPAC(7S,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-ol
SMILESCC[C@@H]1C(O)CN2[C@@H]1COC2(C)C
InChIInChI=1S/C10H19NO2/c1-4-7-8-6-13-10(2,3)11(8)5-9(7)12/h7-9,12H,4-6H2,1-3H3/t7-,8+,9?/m0/s1
InChIKeyLSKIRMQMPCGDGT-ZQTLJVIJSA-N
MW185.27 g/mol
LogP0.82
Rot. Bonds1

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

(7S,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-ol (PubChem CID 155671105) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (7S,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-ol.

Molecular Properties

Compound Name(7S,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-ol
PubChem CID155671105
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(7S,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-ol
SMILESCC[C@@H]1C(O)CN2[C@@H]1COC2(C)C
InChIInChI=1S/C10H19NO2/c1-4-7-8-6-13-10(2,3)11(8)5-9(7)12/h7-9,12H,4-6H2,1-3H3/t7-,8+,9?/m0/s1
InChIKeyLSKIRMQMPCGDGT-ZQTLJVIJSA-N
XLogP0.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-ol?
The IUPAC name of (7S,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-ol (CID 155671105) is (7S,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-ol.
What is the SMILES notation for (7S,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-ol?
The canonical SMILES for (7S,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-ol is CC[C@@H]1C(O)CN2[C@@H]1COC2(C)C.
What is the InChIKey of (7S,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-ol?
The InChIKey is LSKIRMQMPCGDGT-ZQTLJVIJSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-8-6-13-10(2,3)11(8)5-9(7)12/h7-9,12H,4-6H2,1-3H3/t7-,8+,9?/m0/s1.
What are the key properties of (7S,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-ol?
(7S,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-ol has a molecular weight of 185.27 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-ol is sourced from PubChem (CID 155671105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).