(3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione

C10H10O2 — CID 134158456

IUPAC(3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione
SMILESO=C1C2=C(CC2)C(=O)[C@H]2CC[C@H]12
InChIInChI=1S/C10H10O2/c11-9-5-1-2-6(5)10(12)8-4-3-7(8)9/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyIUQKHKCXIOTZEN-WDSKDSINSA-N
MW162.19 g/mol
LogP1.25
Rot. Bonds

About (3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione

(3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione (PubChem CID 134158456) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione.

Molecular Properties

Compound Name(3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione
PubChem CID134158456
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione
SMILESO=C1C2=C(CC2)C(=O)[C@H]2CC[C@H]12
InChIInChI=1S/C10H10O2/c11-9-5-1-2-6(5)10(12)8-4-3-7(8)9/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyIUQKHKCXIOTZEN-WDSKDSINSA-N
XLogP1.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione?
The IUPAC name of (3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione (CID 134158456) is (3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione.
What is the SMILES notation for (3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione?
The canonical SMILES for (3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione is O=C1C2=C(CC2)C(=O)[C@H]2CC[C@H]12.
What is the InChIKey of (3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione?
The InChIKey is IUQKHKCXIOTZEN-WDSKDSINSA-N. The full InChI is InChI=1S/C10H10O2/c11-9-5-1-2-6(5)10(12)8-4-3-7(8)9/h5-6H,1-4H2/t5-,6-/m0/s1.
What are the key properties of (3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione?
(3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione has a molecular weight of 162.19 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione is sourced from PubChem (CID 134158456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).