5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]

C13H17NO — CID 170003759

IUPAC5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
SMILESCCc1ccc2c(c1)CC1(CCNC1)O2
InChIInChI=1S/C13H17NO/c1-2-10-3-4-12-11(7-10)8-13(15-12)5-6-14-9-13/h3-4,7,14H,2,5-6,8-9H2,1H3
InChIKeyOGLJXFJAQVKSCN-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.92
Rot. Bonds1

About 5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]

5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine] (PubChem CID 170003759) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine].

Molecular Properties

Compound Name5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
PubChem CID170003759
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
SMILESCCc1ccc2c(c1)CC1(CCNC1)O2
InChIInChI=1S/C13H17NO/c1-2-10-3-4-12-11(7-10)8-13(15-12)5-6-14-9-13/h3-4,7,14H,2,5-6,8-9H2,1H3
InChIKeyOGLJXFJAQVKSCN-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]?
The IUPAC name of 5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine] (CID 170003759) is 5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine].
What is the SMILES notation for 5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]?
The canonical SMILES for 5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine] is CCc1ccc2c(c1)CC1(CCNC1)O2.
What is the InChIKey of 5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]?
The InChIKey is OGLJXFJAQVKSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-10-3-4-12-11(7-10)8-13(15-12)5-6-14-9-13/h3-4,7,14H,2,5-6,8-9H2,1H3.
What are the key properties of 5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]?
5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine] has a molecular weight of 203.28 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine] is sourced from PubChem (CID 170003759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).