3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone

C12H16N2O2 — CID 110646755

IUPAC3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCn2cccc2C1
InChIInChI=1S/C12H16N2O2/c15-12(11-4-2-8-16-11)14-7-6-13-5-1-3-10(13)9-14/h1,3,5,11H,2,4,6-9H2
InChIKeyNTSHGXFWVFEFOW-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.01
Rot. Bonds1

About 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone

3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone (PubChem CID 110646755) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone
PubChem CID110646755
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCn2cccc2C1
InChIInChI=1S/C12H16N2O2/c15-12(11-4-2-8-16-11)14-7-6-13-5-1-3-10(13)9-14/h1,3,5,11H,2,4,6-9H2
InChIKeyNTSHGXFWVFEFOW-UHFFFAOYSA-N
XLogP1.01
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104855979
4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855628
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
oxolan-2-yl-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110807152
(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone
CID 71977470
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47098482
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110801256
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone (CID 110646755) is 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCn2cccc2C1.
What is the InChIKey of 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone?
The InChIKey is NTSHGXFWVFEFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(11-4-2-8-16-11)14-7-6-13-5-1-3-10(13)9-14/h1,3,5,11H,2,4,6-9H2.
What are the key properties of 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone?
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone has a molecular weight of 220.27 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone is sourced from PubChem (CID 110646755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).