3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione

C8H13N3O2 — CID 82407230

IUPAC3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione
SMILESCN1CC(N)C2CC(=O)NC(=O)C21
InChIInChI=1S/C8H13N3O2/c1-11-3-5(9)4-2-6(12)10-8(13)7(4)11/h4-5,7H,2-3,9H2,1H3,(H,10,12,13)
InChIKeySBMFQFGGDATZMU-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.71
Rot. Bonds

About 3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione

3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione (PubChem CID 82407230) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione.

Molecular Properties

Compound Name3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione
PubChem CID82407230
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione
SMILESCN1CC(N)C2CC(=O)NC(=O)C21
InChIInChI=1S/C8H13N3O2/c1-11-3-5(9)4-2-6(12)10-8(13)7(4)11/h4-5,7H,2-3,9H2,1H3,(H,10,12,13)
InChIKeySBMFQFGGDATZMU-UHFFFAOYSA-N
XLogP-1.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
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 3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione?
The IUPAC name of 3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione (CID 82407230) is 3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione.
What is the SMILES notation for 3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione?
The canonical SMILES for 3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione is CN1CC(N)C2CC(=O)NC(=O)C21.
What is the InChIKey of 3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione?
The InChIKey is SBMFQFGGDATZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11-3-5(9)4-2-6(12)10-8(13)7(4)11/h4-5,7H,2-3,9H2,1H3,(H,10,12,13).
What are the key properties of 3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione?
3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione has a molecular weight of 183.21 g/mol, XLogP of -1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione is sourced from PubChem (CID 82407230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).