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

C12H16N2O — CID 131865702

IUPAC1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine
SMILESCN1CCC2(COc3ccc(N)cc32)C1
InChIInChI=1S/C12H16N2O/c1-14-5-4-12(7-14)8-15-11-3-2-9(13)6-10(11)12/h2-3,6H,4-5,7-8,13H2,1H3
InChIKeyKRFSNSNBYZGQQQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.23
Rot. Bonds

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

1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine (PubChem CID 131865702) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine.

Molecular Properties

Compound Name1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine
PubChem CID131865702
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine
SMILESCN1CCC2(COc3ccc(N)cc32)C1
InChIInChI=1S/C12H16N2O/c1-14-5-4-12(7-14)8-15-11-3-2-9(13)6-10(11)12/h2-3,6H,4-5,7-8,13H2,1H3
InChIKeyKRFSNSNBYZGQQQ-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine?
The IUPAC name of 1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine (CID 131865702) is 1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine.
What is the SMILES notation for 1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine?
The canonical SMILES for 1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine is CN1CCC2(COc3ccc(N)cc32)C1.
What is the InChIKey of 1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine?
The InChIKey is KRFSNSNBYZGQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-5-4-12(7-14)8-15-11-3-2-9(13)6-10(11)12/h2-3,6H,4-5,7-8,13H2,1H3.
What are the key properties of 1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine?
1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine has a molecular weight of 204.27 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine is sourced from PubChem (CID 131865702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).