(7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole

C7H13NO — CID 126672187

IUPAC(7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
SMILESCC1OC[C@H]2CCCN12
InChIInChI=1S/C7H13NO/c1-6-8-4-2-3-7(8)5-9-6/h6-7H,2-5H2,1H3/t6?,7-/m1/s1
InChIKeyQXLYYGOGOCKYNK-COBSHVIPSA-N
MW127.19 g/mol
LogP0.83
Rot. Bonds

About (7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole

(7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole (PubChem CID 126672187) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole.

Molecular Properties

Compound Name(7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
PubChem CID126672187
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
SMILESCC1OC[C@H]2CCCN12
InChIInChI=1S/C7H13NO/c1-6-8-4-2-3-7(8)5-9-6/h6-7H,2-5H2,1H3/t6?,7-/m1/s1
InChIKeyQXLYYGOGOCKYNK-COBSHVIPSA-N
XLogP0.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
The IUPAC name of (7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole (CID 126672187) is (7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole.
What is the SMILES notation for (7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
The canonical SMILES for (7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole is CC1OC[C@H]2CCCN12.
What is the InChIKey of (7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
The InChIKey is QXLYYGOGOCKYNK-COBSHVIPSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-8-4-2-3-7(8)5-9-6/h6-7H,2-5H2,1H3/t6?,7-/m1/s1.
What are the key properties of (7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
(7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole has a molecular weight of 127.19 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole is sourced from PubChem (CID 126672187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).