2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one

C11H18N2O3 — CID 22890056

IUPAC2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one
SMILESCN1CCN(C2=C(O)C(=O)C(C)(O)C2)CC1
InChIInChI=1S/C11H18N2O3/c1-11(16)7-8(9(14)10(11)15)13-5-3-12(2)4-6-13/h14,16H,3-7H2,1-2H3
InChIKeyBKFJAPYLKLYBNG-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.27
Rot. Bonds1

About 2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one

2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one (PubChem CID 22890056) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one
PubChem CID22890056
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one
SMILESCN1CCN(C2=C(O)C(=O)C(C)(O)C2)CC1
InChIInChI=1S/C11H18N2O3/c1-11(16)7-8(9(14)10(11)15)13-5-3-12(2)4-6-13/h14,16H,3-7H2,1-2H3
InChIKeyBKFJAPYLKLYBNG-UHFFFAOYSA-N
XLogP-0.27
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one (CID 22890056) is 2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one is CN1CCN(C2=C(O)C(=O)C(C)(O)C2)CC1.
What is the InChIKey of 2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one?
The InChIKey is BKFJAPYLKLYBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(16)7-8(9(14)10(11)15)13-5-3-12(2)4-6-13/h14,16H,3-7H2,1-2H3.
What are the key properties of 2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one?
2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one has a molecular weight of 226.28 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-5-methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 22890056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).