2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one

C12H21NO2 — CID 86093461

IUPAC2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one
SMILESC=C(CC)C(C)(O)C(=O)N1CCCCC1
InChIInChI=1S/C12H21NO2/c1-4-10(2)12(3,15)11(14)13-8-6-5-7-9-13/h15H,2,4-9H2,1,3H3
InChIKeySZDIZJJPHKYJGG-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.72
Rot. Bonds3

About 2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one

2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one (PubChem CID 86093461) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one
PubChem CID86093461
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one
SMILESC=C(CC)C(C)(O)C(=O)N1CCCCC1
InChIInChI=1S/C12H21NO2/c1-4-10(2)12(3,15)11(14)13-8-6-5-7-9-13/h15H,2,4-9H2,1,3H3
InChIKeySZDIZJJPHKYJGG-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one (CID 86093461) is 2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one is C=C(CC)C(C)(O)C(=O)N1CCCCC1.
What is the InChIKey of 2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one?
The InChIKey is SZDIZJJPHKYJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-10(2)12(3,15)11(14)13-8-6-5-7-9-13/h15H,2,4-9H2,1,3H3.
What are the key properties of 2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one?
2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 86093461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).