2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione

C13H12N2O2 — CID 62699680

IUPAC2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione
SMILESO=C1C2Cc3ccccc3N2C(=O)N1C1CC1
InChIInChI=1S/C13H12N2O2/c16-12-11-7-8-3-1-2-4-10(8)15(11)13(17)14(12)9-5-6-9/h1-4,9,11H,5-7H2
InChIKeySDIJRTWQMJQCCY-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.54
Rot. Bonds1

About 2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione

2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (PubChem CID 62699680) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione.

Molecular Properties

Compound Name2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione
PubChem CID62699680
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione
SMILESO=C1C2Cc3ccccc3N2C(=O)N1C1CC1
InChIInChI=1S/C13H12N2O2/c16-12-11-7-8-3-1-2-4-10(8)15(11)13(17)14(12)9-5-6-9/h1-4,9,11H,5-7H2
InChIKeySDIJRTWQMJQCCY-UHFFFAOYSA-N
XLogP1.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione?
The IUPAC name of 2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (CID 62699680) is 2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione.
What is the SMILES notation for 2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione?
The canonical SMILES for 2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione is O=C1C2Cc3ccccc3N2C(=O)N1C1CC1.
What is the InChIKey of 2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione?
The InChIKey is SDIJRTWQMJQCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-12-11-7-8-3-1-2-4-10(8)15(11)13(17)14(12)9-5-6-9/h1-4,9,11H,5-7H2.
What are the key properties of 2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione?
2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione has a molecular weight of 228.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione is sourced from PubChem (CID 62699680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).