3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine

C12H12N2O — CID 70517480

IUPAC3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=NCC(c2occ3ccccc23)C1
InChIInChI=1S/C12H12N2O/c13-11-5-9(6-14-11)12-10-4-2-1-3-8(10)7-15-12/h1-4,7,9H,5-6H2,(H2,13,14)
InChIKeySZGGDYNDKRNNLZ-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.28
Rot. Bonds1

About 3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine

3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 70517480) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID70517480
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=NCC(c2occ3ccccc23)C1
InChIInChI=1S/C12H12N2O/c13-11-5-9(6-14-11)12-10-4-2-1-3-8(10)7-15-12/h1-4,7,9H,5-6H2,(H2,13,14)
InChIKeySZGGDYNDKRNNLZ-UHFFFAOYSA-N
XLogP2.28
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine (CID 70517480) is 3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine is NC1=NCC(c2occ3ccccc23)C1.
What is the InChIKey of 3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is SZGGDYNDKRNNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-11-5-9(6-14-11)12-10-4-2-1-3-8(10)7-15-12/h1-4,7,9H,5-6H2,(H2,13,14).
What are the key properties of 3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine?
3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 200.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzofuran-1-yl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 70517480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).