(5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one

C11H17NO3 — CID 92855416

IUPAC(5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
SMILESC[C@]1(O)CC(N2CCCCC2)=C(O)C1=O
InChIInChI=1S/C11H17NO3/c1-11(15)7-8(9(13)10(11)14)12-5-3-2-4-6-12/h13,15H,2-7H2,1H3/t11-/m0/s1
InChIKeyHICPSQHUQBAFIQ-NSHDSACASA-N
MW211.26 g/mol
LogP0.97
Rot. Bonds1

About (5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one

(5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one (PubChem CID 92855416) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
PubChem CID92855416
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
SMILESC[C@]1(O)CC(N2CCCCC2)=C(O)C1=O
InChIInChI=1S/C11H17NO3/c1-11(15)7-8(9(13)10(11)14)12-5-3-2-4-6-12/h13,15H,2-7H2,1H3/t11-/m0/s1
InChIKeyHICPSQHUQBAFIQ-NSHDSACASA-N
XLogP0.97
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one?
The IUPAC name of (5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one (CID 92855416) is (5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one.
What is the SMILES notation for (5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one?
The canonical SMILES for (5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one is C[C@]1(O)CC(N2CCCCC2)=C(O)C1=O.
What is the InChIKey of (5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one?
The InChIKey is HICPSQHUQBAFIQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(15)7-8(9(13)10(11)14)12-5-3-2-4-6-12/h13,15H,2-7H2,1H3/t11-/m0/s1.
What are the key properties of (5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one?
(5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one has a molecular weight of 211.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one is sourced from PubChem (CID 92855416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).