6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione

C12H12O2 — CID 91380685

IUPAC6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione
SMILESCC1CC(=O)C2=C1CC1=C2C(=O)CC1
InChIInChI=1S/C12H12O2/c1-6-4-10(14)12-8(6)5-7-2-3-9(13)11(7)12/h6H,2-5H2,1H3
InChIKeyCNIDLUGGOFVFDP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.96
Rot. Bonds

About 6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione

6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione (PubChem CID 91380685) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione.

Molecular Properties

Compound Name6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione
PubChem CID91380685
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione
SMILESCC1CC(=O)C2=C1CC1=C2C(=O)CC1
InChIInChI=1S/C12H12O2/c1-6-4-10(14)12-8(6)5-7-2-3-9(13)11(7)12/h6H,2-5H2,1H3
InChIKeyCNIDLUGGOFVFDP-UHFFFAOYSA-N
XLogP1.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione?
The IUPAC name of 6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione (CID 91380685) is 6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione.
What is the SMILES notation for 6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione?
The canonical SMILES for 6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione is CC1CC(=O)C2=C1CC1=C2C(=O)CC1.
What is the InChIKey of 6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione?
The InChIKey is CNIDLUGGOFVFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-6-4-10(14)12-8(6)5-7-2-3-9(13)11(7)12/h6H,2-5H2,1H3.
What are the key properties of 6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione?
6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione has a molecular weight of 188.23 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[a]pentalene-3,4-dione is sourced from PubChem (CID 91380685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).