4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione

C11H16N2O2 — CID 66471943

IUPAC4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
SMILESO=C1NC(=O)N2C1CCC1CCCCC12
InChIInChI=1S/C11H16N2O2/c14-10-9-6-5-7-3-1-2-4-8(7)13(9)11(15)12-10/h7-9H,1-6H2,(H,12,14,15)
InChIKeyUFRNSJHJJMLQOZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.26
Rot. Bonds

About 4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione

4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione (PubChem CID 66471943) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione.

Molecular Properties

Compound Name4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
PubChem CID66471943
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
SMILESO=C1NC(=O)N2C1CCC1CCCCC12
InChIInChI=1S/C11H16N2O2/c14-10-9-6-5-7-3-1-2-4-8(7)13(9)11(15)12-10/h7-9H,1-6H2,(H,12,14,15)
InChIKeyUFRNSJHJJMLQOZ-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione with MolForge

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Related Compounds

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2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
CID 66471944
2-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
CID 66469335
2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one
CID 115510048
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CID 15077645
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CID 112598446
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CID 14918416
2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
CID 43558023
(3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
CID 102434737
3-cyclohexylpyrrolidine-2,5-dione
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CID 82997961

Frequently Asked Questions

What is the IUPAC name of 4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione?
The IUPAC name of 4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione (CID 66471943) is 4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione.
What is the SMILES notation for 4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione?
The canonical SMILES for 4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione is O=C1NC(=O)N2C1CCC1CCCCC12.
What is the InChIKey of 4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione?
The InChIKey is UFRNSJHJJMLQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-9-6-5-7-3-1-2-4-8(7)13(9)11(15)12-10/h7-9H,1-6H2,(H,12,14,15).
What are the key properties of 4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione?
4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione has a molecular weight of 208.26 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione is sourced from PubChem (CID 66471943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).