(1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione

C8H8O2 — CID 98164011

IUPAC(1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione
SMILESO=C1[C@H]2C[C@@H]2C(=O)[C@@H]2C[C@H]12
InChIInChI=1S/C8H8O2/c9-7-3-1-4(3)8(10)6-2-5(6)7/h3-6H,1-2H2/t3-,4-,5-,6+/m0/s1
InChIKeyUUQZQLOXWOXPCR-OMMKOOBNSA-N
MW136.15 g/mol
LogP0.41
Rot. Bonds

About (1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione

(1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione (PubChem CID 98164011) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione.

Molecular Properties

Compound Name(1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione
PubChem CID98164011
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name(1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione
SMILESO=C1[C@H]2C[C@@H]2C(=O)[C@@H]2C[C@H]12
InChIInChI=1S/C8H8O2/c9-7-3-1-4(3)8(10)6-2-5(6)7/h3-6H,1-2H2/t3-,4-,5-,6+/m0/s1
InChIKeyUUQZQLOXWOXPCR-OMMKOOBNSA-N
XLogP0.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-oxo-2-tricyclo[3.3.0.03,7]octanylidene)propanedinitrile
CID 15429967
tetracyclo[6.2.1.02,4.05,7]undecan-11-one
CID 130036613
tricyclo[5.3.1.12,6]dodecane-11,12-dione
CID 605937
(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
bicyclo[1.1.1]pentan-2-one
CID 13356641
bicyclo[3.1.0]hexane-2,4-dione;hydrochloride
CID 143148645
(3aS,4aR,7aS,8aR)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 102422386
(3aR,4aR,7aR,8aR)-3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 98043102
(1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one
CID 100961369
(1S,2S,3R,5S,6S,7S,9R,10S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione
CID 124710529
2,5-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-indene-1,4-dione
CID 71328693

Frequently Asked Questions

What is the IUPAC name of (1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione?
The IUPAC name of (1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione (CID 98164011) is (1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione.
What is the SMILES notation for (1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione?
The canonical SMILES for (1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione is O=C1[C@H]2C[C@@H]2C(=O)[C@@H]2C[C@H]12.
What is the InChIKey of (1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione?
The InChIKey is UUQZQLOXWOXPCR-OMMKOOBNSA-N. The full InChI is InChI=1S/C8H8O2/c9-7-3-1-4(3)8(10)6-2-5(6)7/h3-6H,1-2H2/t3-,4-,5-,6+/m0/s1.
What are the key properties of (1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione?
(1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione has a molecular weight of 136.15 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione is sourced from PubChem (CID 98164011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).