3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine

C12H15NO — CID 11480921

IUPAC3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine
SMILESNCC1Cc2ccc3c(c2O1)CCC3
InChIInChI=1S/C12H15NO/c13-7-10-6-9-5-4-8-2-1-3-11(8)12(9)14-10/h4-5,10H,1-3,6-7,13H2
InChIKeyZPLWEXNDRUJFSZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.44
Rot. Bonds1

About 3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine

3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine (PubChem CID 11480921) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine.

Molecular Properties

Compound Name3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine
PubChem CID11480921
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine
SMILESNCC1Cc2ccc3c(c2O1)CCC3
InChIInChI=1S/C12H15NO/c13-7-10-6-9-5-4-8-2-1-3-11(8)12(9)14-10/h4-5,10H,1-3,6-7,13H2
InChIKeyZPLWEXNDRUJFSZ-UHFFFAOYSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine?
The IUPAC name of 3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine (CID 11480921) is 3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine.
What is the SMILES notation for 3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine?
The canonical SMILES for 3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine is NCC1Cc2ccc3c(c2O1)CCC3.
What is the InChIKey of 3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine?
The InChIKey is ZPLWEXNDRUJFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c13-7-10-6-9-5-4-8-2-1-3-11(8)12(9)14-10/h4-5,10H,1-3,6-7,13H2.
What are the key properties of 3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine?
3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine has a molecular weight of 189.26 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-2-ylmethanamine is sourced from PubChem (CID 11480921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).