(Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one

C10H17NO2 — CID 71775865

IUPAC(Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one
SMILESCCC(=O)/C(O)=C/N1CCCCC1
InChIInChI=1S/C10H17NO2/c1-2-9(12)10(13)8-11-6-4-3-5-7-11/h8,13H,2-7H2,1H3/b10-8-
InChIKeyLVMVHTWLWYFQAN-NTMALXAHSA-N
MW183.25 g/mol
LogP1.85
Rot. Bonds3

About (Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one

(Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one (PubChem CID 71775865) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one.

Molecular Properties

Compound Name(Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one
PubChem CID71775865
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one
SMILESCCC(=O)/C(O)=C/N1CCCCC1
InChIInChI=1S/C10H17NO2/c1-2-9(12)10(13)8-11-6-4-3-5-7-11/h8,13H,2-7H2,1H3/b10-8-
InChIKeyLVMVHTWLWYFQAN-NTMALXAHSA-N
XLogP1.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one?
The IUPAC name of (Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one (CID 71775865) is (Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one.
What is the SMILES notation for (Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one?
The canonical SMILES for (Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one is CCC(=O)/C(O)=C/N1CCCCC1.
What is the InChIKey of (Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one?
The InChIKey is LVMVHTWLWYFQAN-NTMALXAHSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-9(12)10(13)8-11-6-4-3-5-7-11/h8,13H,2-7H2,1H3/b10-8-.
What are the key properties of (Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one?
(Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one has a molecular weight of 183.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one is sourced from PubChem (CID 71775865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).