1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine

C19H19NO — CID 71560868

IUPAC1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine
SMILESc1ccc(C(c2cc3ccccc3o2)N2CCCC2)cc1
InChIInChI=1S/C19H19NO/c1-2-8-15(9-3-1)19(20-12-6-7-13-20)18-14-16-10-4-5-11-17(16)21-18/h1-5,8-11,14,19H,6-7,12-13H2
InChIKeySRZRTXFTMWKVDZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.62
Rot. Bonds3

About 1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine

1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine (PubChem CID 71560868) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine
PubChem CID71560868
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine
SMILESc1ccc(C(c2cc3ccccc3o2)N2CCCC2)cc1
InChIInChI=1S/C19H19NO/c1-2-8-15(9-3-1)19(20-12-6-7-13-20)18-14-16-10-4-5-11-17(16)21-18/h1-5,8-11,14,19H,6-7,12-13H2
InChIKeySRZRTXFTMWKVDZ-UHFFFAOYSA-N
XLogP4.62
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine
CID 13048630
1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine
CID 13048632
4-[1-benzofuran-2-yl(phenyl)methyl]-1,2,4-triazole
CID 57079600
2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine
CID 63897883
1-benzhydryl-3-(1-benzofuran-2-yl)azetidine
CID 67154723
1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine
CID 53300927
2-[phenyl(piperazin-1-yl)methyl]chromen-4-one
CID 67035950
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
CID 53217465
2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole
CID 24632071
1-[1-benzofuran-2-yl(phenyl)methyl]-3-benzylimidazol-3-ium
CID 71509307
2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide
CID 24624978
1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine
CID 59470641

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine?
The IUPAC name of 1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine (CID 71560868) is 1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine is c1ccc(C(c2cc3ccccc3o2)N2CCCC2)cc1.
What is the InChIKey of 1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine?
The InChIKey is SRZRTXFTMWKVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-8-15(9-3-1)19(20-12-6-7-13-20)18-14-16-10-4-5-11-17(16)21-18/h1-5,8-11,14,19H,6-7,12-13H2.
What are the key properties of 1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine?
1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine has a molecular weight of 277.37 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine is sourced from PubChem (CID 71560868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).