2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C12H13N3O2 — CID 103979180

IUPAC2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESNc1ccc(N2C(=O)C3CCCC3C2=O)nc1
InChIInChI=1S/C12H13N3O2/c13-7-4-5-10(14-6-7)15-11(16)8-2-1-3-9(8)12(15)17/h4-6,8-9H,1-3,13H2
InChIKeyVKIIQGZHIRYSQM-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.95
Rot. Bonds1

About 2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 103979180) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID103979180
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESNc1ccc(N2C(=O)C3CCCC3C2=O)nc1
InChIInChI=1S/C12H13N3O2/c13-7-4-5-10(14-6-7)15-11(16)8-2-1-3-9(8)12(15)17/h4-6,8-9H,1-3,13H2
InChIKeyVKIIQGZHIRYSQM-UHFFFAOYSA-N
XLogP0.95
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione with MolForge

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Related Compounds

2-(5-amino-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 134114768
1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione
CID 62881401
2-(5-amino-2-pyridinyl)isoindole-1,3-dione
CID 55127187
2-(4-bromo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 102820745
2-(4-amino-2-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 113361181
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462008
1-(5-amino-2-pyridinyl)piperidin-4-one
CID 58431724
2-(4-amino-2-chlorophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 16795252
2-(3,5-diaminophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 142698572
2-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 102821898
6-[(3R)-3-aminopyrrolidin-1-yl]pyridin-3-amine
CID 68722963
3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one
CID 50853260

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 103979180) is 2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is Nc1ccc(N2C(=O)C3CCCC3C2=O)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is VKIIQGZHIRYSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-7-4-5-10(14-6-7)15-11(16)8-2-1-3-9(8)12(15)17/h4-6,8-9H,1-3,13H2.
What are the key properties of 2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 231.25 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 103979180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).