2-methyl-5-piperidin-4-ylpent-1-en-3-one

C11H19NO — CID 116563372

IUPAC2-methyl-5-piperidin-4-ylpent-1-en-3-one
SMILESC=C(C)C(=O)CCC1CCNCC1
InChIInChI=1S/C11H19NO/c1-9(2)11(13)4-3-10-5-7-12-8-6-10/h10,12H,1,3-8H2,2H3
InChIKeySQSMWHPQXOEXMM-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.91
Rot. Bonds4

About 2-methyl-5-piperidin-4-ylpent-1-en-3-one

2-methyl-5-piperidin-4-ylpent-1-en-3-one (PubChem CID 116563372) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-5-piperidin-4-ylpent-1-en-3-one.

Molecular Properties

Compound Name2-methyl-5-piperidin-4-ylpent-1-en-3-one
PubChem CID116563372
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-methyl-5-piperidin-4-ylpent-1-en-3-one
SMILESC=C(C)C(=O)CCC1CCNCC1
InChIInChI=1S/C11H19NO/c1-9(2)11(13)4-3-10-5-7-12-8-6-10/h10,12H,1,3-8H2,2H3
InChIKeySQSMWHPQXOEXMM-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 2-methyl-5-piperidin-4-ylpent-1-en-3-one?
The IUPAC name of 2-methyl-5-piperidin-4-ylpent-1-en-3-one (CID 116563372) is 2-methyl-5-piperidin-4-ylpent-1-en-3-one.
What is the SMILES notation for 2-methyl-5-piperidin-4-ylpent-1-en-3-one?
The canonical SMILES for 2-methyl-5-piperidin-4-ylpent-1-en-3-one is C=C(C)C(=O)CCC1CCNCC1.
What is the InChIKey of 2-methyl-5-piperidin-4-ylpent-1-en-3-one?
The InChIKey is SQSMWHPQXOEXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)11(13)4-3-10-5-7-12-8-6-10/h10,12H,1,3-8H2,2H3.
What are the key properties of 2-methyl-5-piperidin-4-ylpent-1-en-3-one?
2-methyl-5-piperidin-4-ylpent-1-en-3-one has a molecular weight of 181.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-4-ylpent-1-en-3-one is sourced from PubChem (CID 116563372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).