4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile

C23H24N2O — CID 67533834

IUPAC4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
SMILESCc1cc2oc(CCN3CCC[C@H]3C)cc2cc1-c1ccc(C#N)cc1
InChIInChI=1S/C23H24N2O/c1-16-12-23-20(14-22(16)19-7-5-18(15-24)6-8-19)13-21(26-23)9-11-25-10-3-4-17(25)2/h5-8,12-14,17H,3-4,9-11H2,1-2H3/t17-/m1/s1
InChIKeyFXGAPEOCLPYRLZ-QGZVFWFLSA-N
MW344.46 g/mol
LogP5.31
Rot. Bonds4

About 4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile

4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile (PubChem CID 67533834) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
PubChem CID67533834
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
SMILESCc1cc2oc(CCN3CCC[C@H]3C)cc2cc1-c1ccc(C#N)cc1
InChIInChI=1S/C23H24N2O/c1-16-12-23-20(14-22(16)19-7-5-18(15-24)6-8-19)13-21(26-23)9-11-25-10-3-4-17(25)2/h5-8,12-14,17H,3-4,9-11H2,1-2H3/t17-/m1/s1
InChIKeyFXGAPEOCLPYRLZ-QGZVFWFLSA-N
XLogP5.31
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile?
The IUPAC name of 4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile (CID 67533834) is 4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile.
What is the SMILES notation for 4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile?
The canonical SMILES for 4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile is Cc1cc2oc(CCN3CCC[C@H]3C)cc2cc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile?
The InChIKey is FXGAPEOCLPYRLZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24N2O/c1-16-12-23-20(14-22(16)19-7-5-18(15-24)6-8-19)13-21(26-23)9-11-25-10-3-4-17(25)2/h5-8,12-14,17H,3-4,9-11H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile?
4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile has a molecular weight of 344.46 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile is sourced from PubChem (CID 67533834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).