1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine

C13H17NO — CID 141305881

IUPAC1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine
SMILESC[C@H]1Cc2c(cccc2N2CCCC2)O1
InChIInChI=1S/C13H17NO/c1-10-9-11-12(14-7-2-3-8-14)5-4-6-13(11)15-10/h4-6,10H,2-3,7-9H2,1H3/t10-/m0/s1
InChIKeyGPLJARJHKAZGDD-JTQLQIEISA-N
MW203.29 g/mol
LogP2.61
Rot. Bonds1

About 1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine

1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine (PubChem CID 141305881) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine
PubChem CID141305881
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine
SMILESC[C@H]1Cc2c(cccc2N2CCCC2)O1
InChIInChI=1S/C13H17NO/c1-10-9-11-12(14-7-2-3-8-14)5-4-6-13(11)15-10/h4-6,10H,2-3,7-9H2,1H3/t10-/m0/s1
InChIKeyGPLJARJHKAZGDD-JTQLQIEISA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine?
The IUPAC name of 1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine (CID 141305881) is 1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine.
What is the SMILES notation for 1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine?
The canonical SMILES for 1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine is C[C@H]1Cc2c(cccc2N2CCCC2)O1.
What is the InChIKey of 1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine?
The InChIKey is GPLJARJHKAZGDD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17NO/c1-10-9-11-12(14-7-2-3-8-14)5-4-6-13(11)15-10/h4-6,10H,2-3,7-9H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine?
1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine has a molecular weight of 203.29 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine is sourced from PubChem (CID 141305881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).