3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one

C9H15NO3 — CID 118934643

IUPAC3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one
SMILESCCN(C)C1=C(O)C(=O)C(C)(O)C1
InChIInChI=1S/C9H15NO3/c1-4-10(3)6-5-9(2,13)8(12)7(6)11/h11,13H,4-5H2,1-3H3
InChIKeyQDIKNCYLJBBCGJ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.43
Rot. Bonds2

About 3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one

3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one (PubChem CID 118934643) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one
PubChem CID118934643
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one
SMILESCCN(C)C1=C(O)C(=O)C(C)(O)C1
InChIInChI=1S/C9H15NO3/c1-4-10(3)6-5-9(2,13)8(12)7(6)11/h11,13H,4-5H2,1-3H3
InChIKeyQDIKNCYLJBBCGJ-UHFFFAOYSA-N
XLogP0.43
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one?
The IUPAC name of 3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one (CID 118934643) is 3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one is CCN(C)C1=C(O)C(=O)C(C)(O)C1.
What is the InChIKey of 3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one?
The InChIKey is QDIKNCYLJBBCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-10(3)6-5-9(2,13)8(12)7(6)11/h11,13H,4-5H2,1-3H3.
What are the key properties of 3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one?
3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one has a molecular weight of 185.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]-2,5-dihydroxy-5-methylcyclopent-2-en-1-one is sourced from PubChem (CID 118934643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).