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

C11H13NO — CID 175955599

IUPACspiro[3H-1-benzofuran-2,2'-pyrrolidine]
SMILESc1ccc2c(c1)CC1(CCCN1)O2
InChIInChI=1S/C11H13NO/c1-2-5-10-9(4-1)8-11(13-10)6-3-7-12-11/h1-2,4-5,12H,3,6-8H2
InChIKeyBNBQVHUSZVKIRO-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.70
Rot. Bonds

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

spiro[3H-1-benzofuran-2,2'-pyrrolidine] (PubChem CID 175955599) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is spiro[3H-1-benzofuran-2,2'-pyrrolidine].

Molecular Properties

Compound Namespiro[3H-1-benzofuran-2,2'-pyrrolidine]
PubChem CID175955599
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Namespiro[3H-1-benzofuran-2,2'-pyrrolidine]
SMILESc1ccc2c(c1)CC1(CCCN1)O2
InChIInChI=1S/C11H13NO/c1-2-5-10-9(4-1)8-11(13-10)6-3-7-12-11/h1-2,4-5,12H,3,6-8H2
InChIKeyBNBQVHUSZVKIRO-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[3H-1-benzofuran-2,2'-pyrrolidine]?
The IUPAC name of spiro[3H-1-benzofuran-2,2'-pyrrolidine] (CID 175955599) is spiro[3H-1-benzofuran-2,2'-pyrrolidine].
What is the SMILES notation for spiro[3H-1-benzofuran-2,2'-pyrrolidine]?
The canonical SMILES for spiro[3H-1-benzofuran-2,2'-pyrrolidine] is c1ccc2c(c1)CC1(CCCN1)O2.
What is the InChIKey of spiro[3H-1-benzofuran-2,2'-pyrrolidine]?
The InChIKey is BNBQVHUSZVKIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-5-10-9(4-1)8-11(13-10)6-3-7-12-11/h1-2,4-5,12H,3,6-8H2.
What are the key properties of spiro[3H-1-benzofuran-2,2'-pyrrolidine]?
spiro[3H-1-benzofuran-2,2'-pyrrolidine] has a molecular weight of 175.23 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-1-benzofuran-2,2'-pyrrolidine] is sourced from PubChem (CID 175955599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).