(3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole

C8H16N2O — CID 15644941

IUPAC(3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole
SMILESCCN1C[C@@H]2NOC[C@]2(C)C1
InChIInChI=1S/C8H16N2O/c1-3-10-4-7-8(2,5-10)6-11-9-7/h7,9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyNJIJEWQMRVGOQK-YUMQZZPRSA-N
MW156.23 g/mol
LogP0.23
Rot. Bonds1

About (3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole

(3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole (PubChem CID 15644941) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name(3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole
PubChem CID15644941
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole
SMILESCCN1C[C@@H]2NOC[C@]2(C)C1
InChIInChI=1S/C8H16N2O/c1-3-10-4-7-8(2,5-10)6-11-9-7/h7,9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyNJIJEWQMRVGOQK-YUMQZZPRSA-N
XLogP0.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole?
The IUPAC name of (3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole (CID 15644941) is (3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole.
What is the SMILES notation for (3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole?
The canonical SMILES for (3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole is CCN1C[C@@H]2NOC[C@]2(C)C1.
What is the InChIKey of (3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole?
The InChIKey is NJIJEWQMRVGOQK-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-10-4-7-8(2,5-10)6-11-9-7/h7,9H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole?
(3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole has a molecular weight of 156.23 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole is sourced from PubChem (CID 15644941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).