5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one

C9H15NO2 — CID 14643347

IUPAC5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)C(CN(C)C)C1
InChIInChI=1S/C9H15NO2/c1-6-4-7(5-10(2)3)9(12)8(6)11/h7,11H,4-5H2,1-3H3
InChIKeyFEYMVTWQUADDTD-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.97
Rot. Bonds2

About 5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one

5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one (PubChem CID 14643347) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one
PubChem CID14643347
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)C(CN(C)C)C1
InChIInChI=1S/C9H15NO2/c1-6-4-7(5-10(2)3)9(12)8(6)11/h7,11H,4-5H2,1-3H3
InChIKeyFEYMVTWQUADDTD-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 78200843
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4-[(dimethylamino)methyl]oxolane-2,3-dione
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5-ethyl-2,3-dimethylcyclopent-2-en-1-one
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2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one
CID 68805219
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CID 22755555
3-[(dimethylamino)methyl]piperidin-2-one
CID 152616281
(2Z)-2-butan-2-ylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride
CID 50990285
(3aR,5S,7aS)-5-[(dimethylamino)methyl]-1,2,3,3a,5,6,7,7a-octahydroinden-4-one
CID 129322188
2-hydroxy-3-methylcyclobut-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one?
The IUPAC name of 5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one (CID 14643347) is 5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one is CC1=C(O)C(=O)C(CN(C)C)C1.
What is the InChIKey of 5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one?
The InChIKey is FEYMVTWQUADDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-4-7(5-10(2)3)9(12)8(6)11/h7,11H,4-5H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one?
5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 14643347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).