2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine

C15H16N2O3 — CID 124758709

IUPAC2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine
SMILESCOc1nccnc1CC[C@@H]1COc2ccccc2O1
InChIInChI=1S/C15H16N2O3/c1-18-15-12(16-8-9-17-15)7-6-11-10-19-13-4-2-3-5-14(13)20-11/h2-5,8-9,11H,6-7,10H2,1H3/t11-/m1/s1
InChIKeyZLFWQKRKAAXMGM-LLVKDONJSA-N
MW272.30 g/mol
LogP2.26
Rot. Bonds4

About 2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine

2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine (PubChem CID 124758709) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine.

Molecular Properties

Compound Name2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine
PubChem CID124758709
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine
SMILESCOc1nccnc1CC[C@@H]1COc2ccccc2O1
InChIInChI=1S/C15H16N2O3/c1-18-15-12(16-8-9-17-15)7-6-11-10-19-13-4-2-3-5-14(13)20-11/h2-5,8-9,11H,6-7,10H2,1H3/t11-/m1/s1
InChIKeyZLFWQKRKAAXMGM-LLVKDONJSA-N
XLogP2.26
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methoxypyrazine
CID 91836725
2-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N-methylpyridine-3-carboxamide
CID 124750918
5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine
CID 124755755
1,3-benzodioxole;(3S)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 91314133
(3R)-3-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 92980685
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride
CID 131723550
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine
CID 17459236
N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 91787068
3-(4-bromobutyl)-2,3-dihydro-1,4-benzodioxine
CID 70485741
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidin-2-amine
CID 3403878
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole
CID 6603891

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine?
The IUPAC name of 2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine (CID 124758709) is 2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine.
What is the SMILES notation for 2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine?
The canonical SMILES for 2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine is COc1nccnc1CC[C@@H]1COc2ccccc2O1.
What is the InChIKey of 2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine?
The InChIKey is ZLFWQKRKAAXMGM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-18-15-12(16-8-9-17-15)7-6-11-10-19-13-4-2-3-5-14(13)20-11/h2-5,8-9,11H,6-7,10H2,1H3/t11-/m1/s1.
What are the key properties of 2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine?
2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine has a molecular weight of 272.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine is sourced from PubChem (CID 124758709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).