2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone

C13H10N2O3 — CID 65351120

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone
SMILESO=C(c1cnccn1)C1COc2ccccc2O1
InChIInChI=1S/C13H10N2O3/c16-13(9-7-14-5-6-15-9)12-8-17-10-3-1-2-4-11(10)18-12/h1-7,12H,8H2
InChIKeyAUZALVOPNJXVIW-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.50
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone

2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone (PubChem CID 65351120) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone
PubChem CID65351120
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone
SMILESO=C(c1cnccn1)C1COc2ccccc2O1
InChIInChI=1S/C13H10N2O3/c16-13(9-7-14-5-6-15-9)12-8-17-10-3-1-2-4-11(10)18-12/h1-7,12H,8H2
InChIKeyAUZALVOPNJXVIW-UHFFFAOYSA-N
XLogP1.50
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2-pyrazin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 29180371
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 94014553
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone
CID 65350957
2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone
CID 43338806
pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2913239
potassium 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 19205447
N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 61360184
2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone
CID 43338852
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanoic acid
CID 170887001
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone (CID 65351120) is 2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone is O=C(c1cnccn1)C1COc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone?
The InChIKey is AUZALVOPNJXVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-13(9-7-14-5-6-15-9)12-8-17-10-3-1-2-4-11(10)18-12/h1-7,12H,8H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone?
2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone has a molecular weight of 242.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone is sourced from PubChem (CID 65351120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).