(7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one

C11H11NO2 — CID 55273017

IUPAC(7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one
SMILESN[C@H]1CCc2cc3c(cc21)COC3=O
InChIInChI=1S/C11H11NO2/c12-10-2-1-6-3-9-7(4-8(6)10)5-14-11(9)13/h3-4,10H,1-2,5,12H2/t10-/m0/s1
InChIKeySLAULOOKVHZSGZ-JTQLQIEISA-N
MW189.21 g/mol
LogP1.30
Rot. Bonds

About (7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one

(7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one (PubChem CID 55273017) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one.

Molecular Properties

Compound Name(7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one
PubChem CID55273017
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one
SMILESN[C@H]1CCc2cc3c(cc21)COC3=O
InChIInChI=1S/C11H11NO2/c12-10-2-1-6-3-9-7(4-8(6)10)5-14-11(9)13/h3-4,10H,1-2,5,12H2/t10-/m0/s1
InChIKeySLAULOOKVHZSGZ-JTQLQIEISA-N
XLogP1.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one?
The IUPAC name of (7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one (CID 55273017) is (7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one.
What is the SMILES notation for (7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one?
The canonical SMILES for (7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one is N[C@H]1CCc2cc3c(cc21)COC3=O.
What is the InChIKey of (7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one?
The InChIKey is SLAULOOKVHZSGZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11NO2/c12-10-2-1-6-3-9-7(4-8(6)10)5-14-11(9)13/h3-4,10H,1-2,5,12H2/t10-/m0/s1.
What are the key properties of (7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one?
(7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one has a molecular weight of 189.21 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-amino-1,5,6,7-tetrahydrocyclopenta[f][2]benzofuran-3-one is sourced from PubChem (CID 55273017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).