(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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Related Compounds

(7aR)-1,2,3,3a,4,5,6,7a-octahydrocyclopenta[a]pentalen-7-one
CID 70232896
(4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one
CID 124707293
(10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione
CID 10857743
(1R,4R)-7-chlorobicyclo[2.2.1]heptane-2,3-dione
CID 98100771
1,2,3,4,4a,6a,7,8,9,10,10a,12a-dodecahydrotetracene-5,6,11,12-tetrone
CID 57353248
(3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione
CID 102156488
(1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
CID 97047562
(1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
CID 124527531
2-imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione
CID 130030337
bicyclo[3.2.0]heptan-2-one
CID 543759
(4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione
CID 102156481
3-(2-oxocyclohexyl)cyclohexane-1,2-dione
CID 11041975

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).