(E)-1-piperidin-1-ylbut-2-en-1-one

C9H15NO — CID 5372413

IUPAC(E)-1-piperidin-1-ylbut-2-en-1-one
SMILESC/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C9H15NO/c1-2-6-9(11)10-7-4-3-5-8-10/h2,6H,3-5,7-8H2,1H3/b6-2+
InChIKeyDEHSTVNSEJEWPR-QHHAFSJGSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds1

About (E)-1-piperidin-1-ylbut-2-en-1-one

(E)-1-piperidin-1-ylbut-2-en-1-one (PubChem CID 5372413) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-1-piperidin-1-ylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-piperidin-1-ylbut-2-en-1-one
PubChem CID5372413
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-1-piperidin-1-ylbut-2-en-1-one
SMILESC/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C9H15NO/c1-2-6-9(11)10-7-4-3-5-8-10/h2,6H,3-5,7-8H2,1H3/b6-2+
InChIKeyDEHSTVNSEJEWPR-QHHAFSJGSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-Acryloylpiperidine
CID 350473
Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-
CID 108247
Piperidine, 1-(1-oxo-2,4-hexadienyl)-
CID 5368937
1-pentyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 4168664
(2E,4E,6E,12E)-1-piperidin-1-yltetradeca-2,4,6,12-tetraen-8,10-diyn-1-one
CID 21681007
1-Piperidin-1-yltetradeca-2,4,6,12-tetraen-8,10-diyn-1-one
CID 73823905
1-Piperidin-1-yldeca-2,4,8-trien-1-one
CID 163073268
n-Methacryloylpiperidine
CID 3070236
1-Pentylpyridin-2-one
CID 67428756
2-Buten-1-one, 2-methyl-1-(1-piperidinyl)-
CID 21118359
(E)-1-piperidin-1-ylnon-2-en-1-one
CID 12575257
1-(1-Piperidinyl)-2-buten-1-one
CID 107435

Frequently Asked Questions

What is the IUPAC name of (E)-1-piperidin-1-ylbut-2-en-1-one?
The IUPAC name of (E)-1-piperidin-1-ylbut-2-en-1-one (CID 5372413) is (E)-1-piperidin-1-ylbut-2-en-1-one.
What is the SMILES notation for (E)-1-piperidin-1-ylbut-2-en-1-one?
The canonical SMILES for (E)-1-piperidin-1-ylbut-2-en-1-one is C/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (E)-1-piperidin-1-ylbut-2-en-1-one?
The InChIKey is DEHSTVNSEJEWPR-QHHAFSJGSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-6-9(11)10-7-4-3-5-8-10/h2,6H,3-5,7-8H2,1H3/b6-2+.
What are the key properties of (E)-1-piperidin-1-ylbut-2-en-1-one?
(E)-1-piperidin-1-ylbut-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-piperidin-1-ylbut-2-en-1-one is sourced from PubChem (CID 5372413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).