N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide

C15H18N2O2 — CID 104972010

IUPACN-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1cc2ccccc2o1
InChIInChI=1S/C15H18N2O2/c18-15(17-9-7-12-5-3-8-16-12)14-10-11-4-1-2-6-13(11)19-14/h1-2,4,6,10,12,16H,3,5,7-9H2,(H,17,18)/t12-/m1/s1
InChIKeyNMFIAVJAAVXNRA-GFCCVEGCSA-N
MW258.32 g/mol
LogP2.30
Rot. Bonds4

About N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 104972010) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide
PubChem CID104972010
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1cc2ccccc2o1
InChIInChI=1S/C15H18N2O2/c18-15(17-9-7-12-5-3-8-16-12)14-10-11-4-1-2-6-13(11)19-14/h1-2,4,6,10,12,16H,3,5,7-9H2,(H,17,18)/t12-/m1/s1
InChIKeyNMFIAVJAAVXNRA-GFCCVEGCSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide (CID 104972010) is N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide is O=C(NCC[C@H]1CCCN1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is NMFIAVJAAVXNRA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(17-9-7-12-5-3-8-16-12)14-10-11-4-1-2-6-13(11)19-14/h1-2,4,6,10,12,16H,3,5,7-9H2,(H,17,18)/t12-/m1/s1.
What are the key properties of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide?
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 104972010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).