(1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione

C10H10O2 — CID 130863271

IUPAC(1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione
SMILESO=C1C[C@H]2C[C@H]3C=CC(=O)[C@H]3[C@@H]12
InChIInChI=1S/C10H10O2/c11-7-2-1-5-3-6-4-8(12)10(6)9(5)7/h1-2,5-6,9-10H,3-4H2/t5-,6-,9+,10-/m1/s1
InChIKeyCTPRHIILAVWXTG-FNIZFGCXSA-N
MW162.19 g/mol
LogP0.97
Rot. Bonds

About (1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione

(1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione (PubChem CID 130863271) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione.

Molecular Properties

Compound Name(1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione
PubChem CID130863271
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione
SMILESO=C1C[C@H]2C[C@H]3C=CC(=O)[C@H]3[C@@H]12
InChIInChI=1S/C10H10O2/c11-7-2-1-5-3-6-4-8(12)10(6)9(5)7/h1-2,5-6,9-10H,3-4H2/t5-,6-,9+,10-/m1/s1
InChIKeyCTPRHIILAVWXTG-FNIZFGCXSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione
CID 11480744
tricyclo[5.2.1.02,6]dec-4-ene-3,9-dione
CID 85263674
(1S,2R,3S,6R,7S,8R)-tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol;(1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 157066704
(2S,4S,5S,8S,9R,11R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 132540584
(1S,2R,4S,5R,8S,9S,11S,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 11889790
(1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one
CID 130891457
(1S,2R,7R,8R)-4-chlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 11908484
ethane;4-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;tritiomethane
CID 91005858
(1R,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 124710424
(1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 98561435
(2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione
CID 138606682
3,7-dimethyl-3,3a,7,7a-tetrahydro-1H-indene-2,4-dione
CID 85125810

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione?
The IUPAC name of (1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione (CID 130863271) is (1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione.
What is the SMILES notation for (1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione?
The canonical SMILES for (1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione is O=C1C[C@H]2C[C@H]3C=CC(=O)[C@H]3[C@@H]12.
What is the InChIKey of (1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione?
The InChIKey is CTPRHIILAVWXTG-FNIZFGCXSA-N. The full InChI is InChI=1S/C10H10O2/c11-7-2-1-5-3-6-4-8(12)10(6)9(5)7/h1-2,5-6,9-10H,3-4H2/t5-,6-,9+,10-/m1/s1.
What are the key properties of (1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione?
(1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione has a molecular weight of 162.19 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,7S)-tricyclo[5.3.0.02,5]dec-8-ene-3,10-dione is sourced from PubChem (CID 130863271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).