1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone

C16H16N4O2 — CID 164643456

IUPAC1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC[C@@H]1Cn1nccn1
InChIInChI=1S/C16H16N4O2/c21-16(15-10-12-4-1-2-6-14(12)22-15)19-9-3-5-13(19)11-20-17-7-8-18-20/h1-2,4,6-8,10,13H,3,5,9,11H2/t13-/m1/s1
InChIKeyOZKFGICBOIITDJ-CYBMUJFWSA-N
MW296.33 g/mol
LogP2.33
Rot. Bonds3

About 1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone

1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 164643456) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID164643456
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC[C@@H]1Cn1nccn1
InChIInChI=1S/C16H16N4O2/c21-16(15-10-12-4-1-2-6-14(12)22-15)19-9-3-5-13(19)11-20-17-7-8-18-20/h1-2,4,6-8,10,13H,3,5,9,11H2/t13-/m1/s1
InChIKeyOZKFGICBOIITDJ-CYBMUJFWSA-N
XLogP2.33
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone (CID 164643456) is 1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCC[C@@H]1Cn1nccn1.
What is the InChIKey of 1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OZKFGICBOIITDJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-16(15-10-12-4-1-2-6-14(12)22-15)19-9-3-5-13(19)11-20-17-7-8-18-20/h1-2,4,6-8,10,13H,3,5,9,11H2/t13-/m1/s1.
What are the key properties of 1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 296.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[(2R)-2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164643456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).