2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine

C18H19N3O — CID 124945120

IUPAC2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESC1=C(CN2CCC[C@H]2c2cnccn2)COc2ccccc21
InChIInChI=1S/C18H19N3O/c1-2-6-18-15(4-1)10-14(13-22-18)12-21-9-3-5-17(21)16-11-19-7-8-20-16/h1-2,4,6-8,10-11,17H,3,5,9,12-13H2/t17-/m0/s1
InChIKeyBOQRGSWHQKWTKQ-KRWDZBQOSA-N
MW293.37 g/mol
LogP3.09
Rot. Bonds3

About 2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine

2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine (PubChem CID 124945120) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine
PubChem CID124945120
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESC1=C(CN2CCC[C@H]2c2cnccn2)COc2ccccc21
InChIInChI=1S/C18H19N3O/c1-2-6-18-15(4-1)10-14(13-22-18)12-21-9-3-5-17(21)16-11-19-7-8-20-16/h1-2,4,6-8,10-11,17H,3,5,9,12-13H2/t17-/m0/s1
InChIKeyBOQRGSWHQKWTKQ-KRWDZBQOSA-N
XLogP3.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine (CID 124945120) is 2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine is C1=C(CN2CCC[C@H]2c2cnccn2)COc2ccccc21.
What is the InChIKey of 2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
The InChIKey is BOQRGSWHQKWTKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-6-18-15(4-1)10-14(13-22-18)12-21-9-3-5-17(21)16-11-19-7-8-20-16/h1-2,4,6-8,10-11,17H,3,5,9,12-13H2/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine has a molecular weight of 293.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 124945120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).