1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

C17H18N2O3 — CID 70754766

IUPAC1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCCC1c2cccn2CCN1C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N2O3/c1-2-13-14-4-3-7-18(14)8-9-19(13)17(20)12-5-6-15-16(10-12)22-11-21-15/h3-7,10,13H,2,8-9,11H2,1H3
InChIKeyJGDOBIJXXLXHTN-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.82
Rot. Bonds2

About 1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 70754766) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID70754766
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCCC1c2cccn2CCN1C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N2O3/c1-2-13-14-4-3-7-18(14)8-9-19(13)17(20)12-5-6-15-16(10-12)22-11-21-15/h3-7,10,13H,2,8-9,11H2,1H3
InChIKeyJGDOBIJXXLXHTN-UHFFFAOYSA-N
XLogP2.82
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone
CID 70741182
4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 75429902
[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone
CID 136890699
1,3-benzodioxol-5-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162634923
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
1,3-benzodioxol-5-yl-(4-ethylpiperazin-1-yl)methanone
CID 798684
[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 51495389
4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one
CID 24716700
(4R)-3-(1,3-benzodioxole-5-carbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
CID 95159279
(4S)-3-(1,3-benzodioxole-5-carbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
CID 95159280
1,3-benzodioxol-5-yl-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506350
1-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 97236526

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 70754766) is 1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is CCC1c2cccn2CCN1C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is JGDOBIJXXLXHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-13-14-4-3-7-18(14)8-9-19(13)17(20)12-5-6-15-16(10-12)22-11-21-15/h3-7,10,13H,2,8-9,11H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 298.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 70754766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).