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

C11H19NO — CID 58611438

IUPAC2-methyl-5-piperidin-1-ylpent-1-en-3-one
SMILESC=C(C)C(=O)CCN1CCCCC1
InChIInChI=1S/C11H19NO/c1-10(2)11(13)6-9-12-7-4-3-5-8-12/h1,3-9H2,2H3
InChIKeyPYLWXOASIIDGPV-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.01
Rot. Bonds4

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

2-methyl-5-piperidin-1-ylpent-1-en-3-one (PubChem CID 58611438) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-5-piperidin-1-ylpent-1-en-3-one.

Molecular Properties

Compound Name2-methyl-5-piperidin-1-ylpent-1-en-3-one
PubChem CID58611438
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-methyl-5-piperidin-1-ylpent-1-en-3-one
SMILESC=C(C)C(=O)CCN1CCCCC1
InChIInChI=1S/C11H19NO/c1-10(2)11(13)6-9-12-7-4-3-5-8-12/h1,3-9H2,2H3
InChIKeyPYLWXOASIIDGPV-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
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-1-ylpent-1-en-3-one?
The IUPAC name of 2-methyl-5-piperidin-1-ylpent-1-en-3-one (CID 58611438) is 2-methyl-5-piperidin-1-ylpent-1-en-3-one.
What is the SMILES notation for 2-methyl-5-piperidin-1-ylpent-1-en-3-one?
The canonical SMILES for 2-methyl-5-piperidin-1-ylpent-1-en-3-one is C=C(C)C(=O)CCN1CCCCC1.
What is the InChIKey of 2-methyl-5-piperidin-1-ylpent-1-en-3-one?
The InChIKey is PYLWXOASIIDGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)11(13)6-9-12-7-4-3-5-8-12/h1,3-9H2,2H3.
What are the key properties of 2-methyl-5-piperidin-1-ylpent-1-en-3-one?
2-methyl-5-piperidin-1-ylpent-1-en-3-one has a molecular weight of 181.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-1-ylpent-1-en-3-one is sourced from PubChem (CID 58611438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).