spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide

C12H14N2O2 — CID 69477895

IUPACspiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
SMILESNC(=O)N1CCC2(C1)OCc1ccccc12
InChIInChI=1S/C12H14N2O2/c13-11(15)14-6-5-12(8-14)10-4-2-1-3-9(10)7-16-12/h1-4H,5-8H2,(H2,13,15)
InChIKeyRGZHCSVSCNHNIW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.20
Rot. Bonds

About spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide

spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide (PubChem CID 69477895) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Namespiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
PubChem CID69477895
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namespiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
SMILESNC(=O)N1CCC2(C1)OCc1ccccc12
InChIInChI=1S/C12H14N2O2/c13-11(15)14-6-5-12(8-14)10-4-2-1-3-9(10)7-16-12/h1-4H,5-8H2,(H2,13,15)
InChIKeyRGZHCSVSCNHNIW-UHFFFAOYSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide (CID 69477895) is spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide is NC(=O)N1CCC2(C1)OCc1ccccc12.
What is the InChIKey of spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is RGZHCSVSCNHNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-11(15)14-6-5-12(8-14)10-4-2-1-3-9(10)7-16-12/h1-4H,5-8H2,(H2,13,15).
What are the key properties of spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 69477895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).