(E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one

C11H19NO — CID 142388423

IUPAC(E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one
SMILESCC(C)C(=O)/C=C/C1CCCCN1
InChIInChI=1S/C11H19NO/c1-9(2)11(13)7-6-10-5-3-4-8-12-10/h6-7,9-10,12H,3-5,8H2,1-2H3/b7-6+
InChIKeyXNAMMICGDOJEPX-VOTSOKGWSA-N
MW181.28 g/mol
LogP1.91
Rot. Bonds3

About (E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one

(E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one (PubChem CID 142388423) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one
PubChem CID142388423
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one
SMILESCC(C)C(=O)/C=C/C1CCCCN1
InChIInChI=1S/C11H19NO/c1-9(2)11(13)7-6-10-5-3-4-8-12-10/h6-7,9-10,12H,3-5,8H2,1-2H3/b7-6+
InChIKeyXNAMMICGDOJEPX-VOTSOKGWSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one?
The IUPAC name of (E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one (CID 142388423) is (E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one.
What is the SMILES notation for (E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one?
The canonical SMILES for (E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one is CC(C)C(=O)/C=C/C1CCCCN1.
What is the InChIKey of (E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one?
The InChIKey is XNAMMICGDOJEPX-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)11(13)7-6-10-5-3-4-8-12-10/h6-7,9-10,12H,3-5,8H2,1-2H3/b7-6+.
What are the key properties of (E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one?
(E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one has a molecular weight of 181.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-1-piperidin-2-ylpent-1-en-3-one is sourced from PubChem (CID 142388423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).