1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone

C19H17NO2 — CID 168514058

IUPAC1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCCC2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H17NO2/c21-19(18-13-15-5-1-2-6-17(15)22-18)14-7-9-16(10-8-14)20-11-3-4-12-20/h1-2,5-10,13H,3-4,11-12H2
InChIKeySYTQKHTXQPWZON-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.26
Rot. Bonds3

About 1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone

1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone (PubChem CID 168514058) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone
PubChem CID168514058
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCCC2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H17NO2/c21-19(18-13-15-5-1-2-6-17(15)22-18)14-7-9-16(10-8-14)20-11-3-4-12-20/h1-2,5-10,13H,3-4,11-12H2
InChIKeySYTQKHTXQPWZON-UHFFFAOYSA-N
XLogP4.26
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
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2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
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CID 115807026
1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone
CID 71739497
N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-3-nitro-4-piperidin-1-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone (CID 168514058) is 1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone is O=C(c1ccc(N2CCCC2)cc1)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is SYTQKHTXQPWZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-19(18-13-15-5-1-2-6-17(15)22-18)14-7-9-16(10-8-14)20-11-3-4-12-20/h1-2,5-10,13H,3-4,11-12H2.
What are the key properties of 1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone?
1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 291.35 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 168514058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).