5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione

C12H17N3O2 — CID 15305423

IUPAC5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
SMILESCN1C(=O)C2CN=C(N3CCCCC3)C2C1=O
InChIInChI=1S/C12H17N3O2/c1-14-11(16)8-7-13-10(9(8)12(14)17)15-5-3-2-4-6-15/h8-9H,2-7H2,1H3
InChIKeyLPBKSYSRQVHZOX-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.12
Rot. Bonds

About 5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione

5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 15305423) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
PubChem CID15305423
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
SMILESCN1C(=O)C2CN=C(N3CCCCC3)C2C1=O
InChIInChI=1S/C12H17N3O2/c1-14-11(16)8-7-13-10(9(8)12(14)17)15-5-3-2-4-6-15/h8-9H,2-7H2,1H3
InChIKeyLPBKSYSRQVHZOX-UHFFFAOYSA-N
XLogP0.12
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione (CID 15305423) is 5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione is CN1C(=O)C2CN=C(N3CCCCC3)C2C1=O.
What is the InChIKey of 5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The InChIKey is LPBKSYSRQVHZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-11(16)8-7-13-10(9(8)12(14)17)15-5-3-2-4-6-15/h8-9H,2-7H2,1H3.
What are the key properties of 5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione has a molecular weight of 235.29 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-piperidin-1-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 15305423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).