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

C14H22N2O2 — CID 66469335

IUPAC2-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
SMILESCCCN1C(=O)C2CCC3CCCCC3N2C1=O
InChIInChI=1S/C14H22N2O2/c1-2-9-15-13(17)12-8-7-10-5-3-4-6-11(10)16(12)14(15)18/h10-12H,2-9H2,1H3
InChIKeyOEQSUULBRFNRIT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.38
Rot. Bonds2

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

2-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione (PubChem CID 66469335) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione.

Molecular Properties

Compound Name2-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
PubChem CID66469335
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
SMILESCCCN1C(=O)C2CCC3CCCCC3N2C1=O
InChIInChI=1S/C14H22N2O2/c1-2-9-15-13(17)12-8-7-10-5-3-4-6-11(10)16(12)14(15)18/h10-12H,2-9H2,1H3
InChIKeyOEQSUULBRFNRIT-UHFFFAOYSA-N
XLogP2.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.38
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-tert-butyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
CID 66471944
2-(2-methylsulfonylethyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
CID 102561165
4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
CID 66471943
(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
2-propyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
CID 82906267
2-[(5aS,9aS)-1,4-dioxo-4a,5,5a,6,7,8,9,9a-octahydro-3H-pyrimido[1,6-a]indol-2-yl]pentanoic acid
CID 143006393
1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87234300
2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
CID 43558023
9-propyl-9-azabicyclo[6.2.0]decane
CID 126990839
1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 21106195
1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione
CID 87233887
1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 43638751

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione?
The IUPAC name of 2-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione (CID 66469335) is 2-propyl-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-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione?
The canonical SMILES for 2-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione is CCCN1C(=O)C2CCC3CCCCC3N2C1=O.
What is the InChIKey of 2-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione?
The InChIKey is OEQSUULBRFNRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-9-15-13(17)12-8-7-10-5-3-4-6-11(10)16(12)14(15)18/h10-12H,2-9H2,1H3.
What are the key properties of 2-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione?
2-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione has a molecular weight of 250.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione is sourced from PubChem (CID 66469335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).