(E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one

C11H19NO — CID 14765527

IUPAC(E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one
SMILESCC(=O)/C=C(\C)CN1CCCCC1
InChIInChI=1S/C11H19NO/c1-10(8-11(2)13)9-12-6-4-3-5-7-12/h8H,3-7,9H2,1-2H3/b10-8+
InChIKeyADJQTCUXISQAIG-CSKARUKUSA-N
MW181.28 g/mol
LogP2.01
Rot. Bonds3

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

(E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one (PubChem CID 14765527) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one
PubChem CID14765527
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one
SMILESCC(=O)/C=C(\C)CN1CCCCC1
InChIInChI=1S/C11H19NO/c1-10(8-11(2)13)9-12-6-4-3-5-7-12/h8H,3-7,9H2,1-2H3/b10-8+
InChIKeyADJQTCUXISQAIG-CSKARUKUSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

Isoarecolone methiodide
CID 146968
Isoarecolone
CID 146970
1-(1,2,5,6-Tetrahydro-1-methyl-3-pyridinyl)-1-propanone
CID 10176226
1-(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)butan-1-one
CID 15048512
1-(1-Ethyl-1,2,3,6-tetrahydro-pyridin-4-yl)-ethanone
CID 44335203
1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide
CID 3024589
4-Acetyl-1,1-dimethyl-1,2,3,6-tetrahydro-pyridinium; iodide
CID 146969
(E)-1-(1,1-dimethylpiperidin-1-ium-2-yl)-2-methylpent-1-en-3-one
CID 44350038
(E)-2-methyl-1-(1-methylpiperidin-2-yl)pent-1-en-3-one
CID 44350050
Isoarecolone hydrochloride
CID 53299321
(E)-4-piperidin-1-ylpent-3-en-2-one
CID 11137514
1-(1-Methylpiperidin-4-ylidene)propan-2-one
CID 15601059

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one?
The IUPAC name of (E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one (CID 14765527) is (E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one.
What is the SMILES notation for (E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one?
The canonical SMILES for (E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one is CC(=O)/C=C(\C)CN1CCCCC1.
What is the InChIKey of (E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one?
The InChIKey is ADJQTCUXISQAIG-CSKARUKUSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(8-11(2)13)9-12-6-4-3-5-7-12/h8H,3-7,9H2,1-2H3/b10-8+.
What are the key properties of (E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one?
(E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-5-piperidin-1-ylpent-3-en-2-one is sourced from PubChem (CID 14765527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).