2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile

C16H18N2O — CID 67534035

IUPAC2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile
SMILESC[C@@H]1CCCN1CCc1cc2ccc(C#N)cc2o1
InChIInChI=1S/C16H18N2O/c1-12-3-2-7-18(12)8-6-15-10-14-5-4-13(11-17)9-16(14)19-15/h4-5,9-10,12H,2-3,6-8H2,1H3/t12-/m1/s1
InChIKeyFJPAYYCYZRLOTN-GFCCVEGCSA-N
MW254.33 g/mol
LogP3.33
Rot. Bonds3

About 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile

2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile (PubChem CID 67534035) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile.

Molecular Properties

Compound Name2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile
PubChem CID67534035
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile
SMILESC[C@@H]1CCCN1CCc1cc2ccc(C#N)cc2o1
InChIInChI=1S/C16H18N2O/c1-12-3-2-7-18(12)8-6-15-10-14-5-4-13(11-17)9-16(14)19-15/h4-5,9-10,12H,2-3,6-8H2,1H3/t12-/m1/s1
InChIKeyFJPAYYCYZRLOTN-GFCCVEGCSA-N
XLogP3.33
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile?
The IUPAC name of 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile (CID 67534035) is 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile.
What is the SMILES notation for 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile?
The canonical SMILES for 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile is C[C@@H]1CCCN1CCc1cc2ccc(C#N)cc2o1.
What is the InChIKey of 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile?
The InChIKey is FJPAYYCYZRLOTN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-3-2-7-18(12)8-6-15-10-14-5-4-13(11-17)9-16(14)19-15/h4-5,9-10,12H,2-3,6-8H2,1H3/t12-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile?
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile has a molecular weight of 254.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile is sourced from PubChem (CID 67534035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).