(3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione

C10H15N3O3 — CID 46201660

IUPAC(3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
SMILESO=C1[C@H]2CNC[C@H]2C(=O)N1N1CCOCC1
InChIInChI=1S/C10H15N3O3/c14-9-7-5-11-6-8(7)10(15)13(9)12-1-3-16-4-2-12/h7-8,11H,1-6H2/t7-,8+
InChIKeyIJQWNGARKWMWBE-OCAPTIKFSA-N
MW225.25 g/mol
LogP-1.56
Rot. Bonds1

About (3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione

(3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 46201660) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is (3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name(3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
PubChem CID46201660
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name(3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
SMILESO=C1[C@H]2CNC[C@H]2C(=O)N1N1CCOCC1
InChIInChI=1S/C10H15N3O3/c14-9-7-5-11-6-8(7)10(15)13(9)12-1-3-16-4-2-12/h7-8,11H,1-6H2/t7-,8+
InChIKeyIJQWNGARKWMWBE-OCAPTIKFSA-N
XLogP-1.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The IUPAC name of (3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione (CID 46201660) is (3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for (3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for (3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione is O=C1[C@H]2CNC[C@H]2C(=O)N1N1CCOCC1.
What is the InChIKey of (3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The InChIKey is IJQWNGARKWMWBE-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-9-7-5-11-6-8(7)10(15)13(9)12-1-3-16-4-2-12/h7-8,11H,1-6H2/t7-,8+.
What are the key properties of (3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
(3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione has a molecular weight of 225.25 g/mol, XLogP of -1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 46201660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).