N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide

C15H18N2O2 — CID 115159596

IUPACN-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1coc2ccccc12)C1CCNC1
InChIInChI=1S/C15H18N2O2/c18-15(11-5-7-16-9-11)17-8-6-12-10-19-14-4-2-1-3-13(12)14/h1-4,10-11,16H,5-9H2,(H,17,18)
InChIKeyBHZTWOHSSUYFHW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.70
Rot. Bonds4

About N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide

N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 115159596) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID115159596
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1coc2ccccc12)C1CCNC1
InChIInChI=1S/C15H18N2O2/c18-15(11-5-7-16-9-11)17-8-6-12-10-19-14-4-2-1-3-13(12)14/h1-4,10-11,16H,5-9H2,(H,17,18)
InChIKeyBHZTWOHSSUYFHW-UHFFFAOYSA-N
XLogP1.70
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide
CID 18007934
N-[2-(2-nitrophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119802906
N-[2-(2-ethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119772912
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 115159581
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-(1-benzofuran-3-yl)piperidine-3-carboxamide
CID 115159864
N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide
CID 115140987
N-(1-benzofuran-3-yl)piperidine-4-carboxamide
CID 115159983
ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate
CID 115142072
N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182419

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide (CID 115159596) is N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCc1coc2ccccc12)C1CCNC1.
What is the InChIKey of N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is BHZTWOHSSUYFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(11-5-7-16-9-11)17-8-6-12-10-19-14-4-2-1-3-13(12)14/h1-4,10-11,16H,5-9H2,(H,17,18).
What are the key properties of N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide?
N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 115159596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).