(7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole

C10H19NO2 — CID 141470021

IUPAC(7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
SMILESCOC[C@@H]1CCN2[C@@H]1COC2(C)C
InChIInChI=1S/C10H19NO2/c1-10(2)11-5-4-8(6-12-3)9(11)7-13-10/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyDIESTKBKCRMBOM-DTWKUNHWSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds2

About (7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole

(7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole (PubChem CID 141470021) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole.

Molecular Properties

Compound Name(7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
PubChem CID141470021
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
SMILESCOC[C@@H]1CCN2[C@@H]1COC2(C)C
InChIInChI=1S/C10H19NO2/c1-10(2)11-5-4-8(6-12-3)9(11)7-13-10/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyDIESTKBKCRMBOM-DTWKUNHWSA-N
XLogP1.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole?
The IUPAC name of (7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole (CID 141470021) is (7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole.
What is the SMILES notation for (7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole?
The canonical SMILES for (7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole is COC[C@@H]1CCN2[C@@H]1COC2(C)C.
What is the InChIKey of (7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole?
The InChIKey is DIESTKBKCRMBOM-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2)11-5-4-8(6-12-3)9(11)7-13-10/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole?
(7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole has a molecular weight of 185.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,7aS)-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole is sourced from PubChem (CID 141470021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).