1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one

C11H15NO2 — CID 18008615

IUPAC1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one
SMILESC=CC(=O)C1CCCC(C(=O)C=C)N1
InChIInChI=1S/C11H15NO2/c1-3-10(13)8-6-5-7-9(12-8)11(14)4-2/h3-4,8-9,12H,1-2,5-7H2
InChIKeySVPSSKAEZZOPLC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.01
Rot. Bonds4

About 1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one

1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one (PubChem CID 18008615) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one
PubChem CID18008615
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one
SMILESC=CC(=O)C1CCCC(C(=O)C=C)N1
InChIInChI=1S/C11H15NO2/c1-3-10(13)8-6-5-7-9(12-8)11(14)4-2/h3-4,8-9,12H,1-2,5-7H2
InChIKeySVPSSKAEZZOPLC-UHFFFAOYSA-N
XLogP1.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one (CID 18008615) is 1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one is C=CC(=O)C1CCCC(C(=O)C=C)N1.
What is the InChIKey of 1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one?
The InChIKey is SVPSSKAEZZOPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-10(13)8-6-5-7-9(12-8)11(14)4-2/h3-4,8-9,12H,1-2,5-7H2.
What are the key properties of 1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one?
1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-prop-2-enoylpiperidin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 18008615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).