(6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine

C11H13NO — CID 131062261

IUPAC(6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine
SMILESN[C@H]1CCc2c1ccc1c2CCO1
InChIInChI=1S/C11H13NO/c12-10-3-1-7-8(10)2-4-11-9(7)5-6-13-11/h2,4,10H,1,3,5-6,12H2/t10-/m0/s1
InChIKeyQTSDEPYDOONWSA-JTQLQIEISA-N
MW175.23 g/mol
LogP1.57
Rot. Bonds

About (6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine

(6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine (PubChem CID 131062261) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine.

Molecular Properties

Compound Name(6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine
PubChem CID131062261
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine
SMILESN[C@H]1CCc2c1ccc1c2CCO1
InChIInChI=1S/C11H13NO/c12-10-3-1-7-8(10)2-4-11-9(7)5-6-13-11/h2,4,10H,1,3,5-6,12H2/t10-/m0/s1
InChIKeyQTSDEPYDOONWSA-JTQLQIEISA-N
XLogP1.57
TPSA35.25 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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine?
The IUPAC name of (6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine (CID 131062261) is (6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine.
What is the SMILES notation for (6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine?
The canonical SMILES for (6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine is N[C@H]1CCc2c1ccc1c2CCO1.
What is the InChIKey of (6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine?
The InChIKey is QTSDEPYDOONWSA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO/c12-10-3-1-7-8(10)2-4-11-9(7)5-6-13-11/h2,4,10H,1,3,5-6,12H2/t10-/m0/s1.
What are the key properties of (6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine?
(6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine has a molecular weight of 175.23 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine is sourced from PubChem (CID 131062261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).