1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one

C10H9N3O — CID 83137788

IUPAC1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one
SMILESNC1=NC(=O)C2Cc3ccccc3N12
InChIInChI=1S/C10H9N3O/c11-10-12-9(14)8-5-6-3-1-2-4-7(6)13(8)10/h1-4,8H,5H2,(H2,11,12,14)
InChIKeyPYBZITXHBCGBMS-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.27
Rot. Bonds

About 1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one

1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one (PubChem CID 83137788) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one.

Molecular Properties

Compound Name1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one
PubChem CID83137788
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one
SMILESNC1=NC(=O)C2Cc3ccccc3N12
InChIInChI=1S/C10H9N3O/c11-10-12-9(14)8-5-6-3-1-2-4-7(6)13(8)10/h1-4,8H,5H2,(H2,11,12,14)
InChIKeyPYBZITXHBCGBMS-UHFFFAOYSA-N
XLogP0.27
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one?
The IUPAC name of 1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one (CID 83137788) is 1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one.
What is the SMILES notation for 1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one?
The canonical SMILES for 1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one is NC1=NC(=O)C2Cc3ccccc3N12.
What is the InChIKey of 1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one?
The InChIKey is PYBZITXHBCGBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-10-12-9(14)8-5-6-3-1-2-4-7(6)13(8)10/h1-4,8H,5H2,(H2,11,12,14).
What are the key properties of 1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one?
1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one has a molecular weight of 187.20 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one is sourced from PubChem (CID 83137788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).