7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C11H18N4O2 — CID 79091903

IUPAC7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C([C@@H]1CCCN1)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H18N4O2/c16-10(9-2-1-3-12-9)14-4-5-15-8(7-14)6-13-11(15)17/h8-9,12H,1-7H2,(H,13,17)/t8?,9-/m0/s1
InChIKeyOJQPBKGHUUCKPR-GKAPJAKFSA-N
MW238.29 g/mol
LogP-1.03
Rot. Bonds1

About 7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091903) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091903
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C([C@@H]1CCCN1)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H18N4O2/c16-10(9-2-1-3-12-9)14-4-5-15-8(7-14)6-13-11(15)17/h8-9,12H,1-7H2,(H,13,17)/t8?,9-/m0/s1
InChIKeyOJQPBKGHUUCKPR-GKAPJAKFSA-N
XLogP-1.03
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

2-[(2S)-piperidine-2-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 104914557
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride
CID 119868355
N-cyclobutyl-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 113255355
7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096310
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[(2R)-piperidin-2-yl]methanone;dihydrochloride
CID 119868312
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901253
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(azepan-2-yl)methanone
CID 64563235
N-cyclopropyl-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 115682833
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
CID 79094683
7-(2-sulfanylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 107031951

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091903) is 7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C([C@@H]1CCCN1)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is OJQPBKGHUUCKPR-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H18N4O2/c16-10(9-2-1-3-12-9)14-4-5-15-8(7-14)6-13-11(15)17/h8-9,12H,1-7H2,(H,13,17)/t8?,9-/m0/s1.
What are the key properties of 7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 238.29 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).