(3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione

C11H10O2 — CID 11480744

IUPAC(3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione
SMILESO=C1C=C[C@H]2C[C@H]3C=CC(=O)[C@H]3[C@@H]12
InChIInChI=1S/C11H10O2/c12-8-3-1-6-5-7-2-4-9(13)11(7)10(6)8/h1-4,6-7,10-11H,5H2/t6-,7+,10+,11-
InChIKeyKECOWOKKCULLDI-FIPCFZRWSA-N
MW174.20 g/mol
LogP1.13
Rot. Bonds

About (3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione

(3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione (PubChem CID 11480744) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is (3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione.

Molecular Properties

Compound Name(3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione
PubChem CID11480744
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name(3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione
SMILESO=C1C=C[C@H]2C[C@H]3C=CC(=O)[C@H]3[C@@H]12
InChIInChI=1S/C11H10O2/c12-8-3-1-6-5-7-2-4-9(13)11(7)10(6)8/h1-4,6-7,10-11H,5H2/t6-,7+,10+,11-
InChIKeyKECOWOKKCULLDI-FIPCFZRWSA-N
XLogP1.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione?
The IUPAC name of (3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione (CID 11480744) is (3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione.
What is the SMILES notation for (3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione?
The canonical SMILES for (3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione is O=C1C=C[C@H]2C[C@H]3C=CC(=O)[C@H]3[C@@H]12.
What is the InChIKey of (3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione?
The InChIKey is KECOWOKKCULLDI-FIPCFZRWSA-N. The full InChI is InChI=1S/C11H10O2/c12-8-3-1-6-5-7-2-4-9(13)11(7)10(6)8/h1-4,6-7,10-11H,5H2/t6-,7+,10+,11-.
What are the key properties of (3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione?
(3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione has a molecular weight of 174.20 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,3bS,6aR,7aS)-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione is sourced from PubChem (CID 11480744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).