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

C15H24N2O2 — CID 66471944

IUPAC2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
SMILESCC(C)(C)N1C(=O)C2CCC3CCCCC3N2C1=O
InChIInChI=1S/C15H24N2O2/c1-15(2,3)17-13(18)12-9-8-10-6-4-5-7-11(10)16(12)14(17)19/h10-12H,4-9H2,1-3H3
InChIKeyUKSCTGJBWIBLJI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.77
Rot. Bonds

About 2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione

2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione (PubChem CID 66471944) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione.

Molecular Properties

Compound Name2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
PubChem CID66471944
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
SMILESCC(C)(C)N1C(=O)C2CCC3CCCCC3N2C1=O
InChIInChI=1S/C15H24N2O2/c1-15(2,3)17-13(18)12-9-8-10-6-4-5-7-11(10)16(12)14(17)19/h10-12H,4-9H2,1-3H3
InChIKeyUKSCTGJBWIBLJI-UHFFFAOYSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
CID 66469335
4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
CID 66471943
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CID 43558023
1-tert-butyl-2-cyclohexylpyrrolidine
CID 155770261
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
2-(2-methylsulfonylethyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
CID 102561165
2-(3-chlorophenyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
CID 43558014
(3aS,4aS,8aR)-2-(6-chloro-3-pyridinyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
CID 124864761
3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 44614073
4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one
CID 10198369
(3aS,4aR,8aR)-2-(1H-pyrazol-5-ylmethyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
CID 124725771
(3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
CID 99781524

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione?
The IUPAC name of 2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione (CID 66471944) is 2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione.
What is the SMILES notation for 2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione?
The canonical SMILES for 2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione is CC(C)(C)N1C(=O)C2CCC3CCCCC3N2C1=O.
What is the InChIKey of 2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione?
The InChIKey is UKSCTGJBWIBLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)17-13(18)12-9-8-10-6-4-5-7-11(10)16(12)14(17)19/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione?
2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione has a molecular weight of 264.37 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione is sourced from PubChem (CID 66471944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).