1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one

C11H17NO — CID 118238287

IUPAC1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one
SMILESC=CCC1(C(=O)C=C)CCNCC1
InChIInChI=1S/C11H17NO/c1-3-5-11(10(13)4-2)6-8-12-9-7-11/h3-4,12H,1-2,5-9H2
InChIKeyPZIRLHZPMASIEY-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.69
Rot. Bonds4

About 1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one

1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one (PubChem CID 118238287) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one
PubChem CID118238287
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one
SMILESC=CCC1(C(=O)C=C)CCNCC1
InChIInChI=1S/C11H17NO/c1-3-5-11(10(13)4-2)6-8-12-9-7-11/h3-4,12H,1-2,5-9H2
InChIKeyPZIRLHZPMASIEY-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one (CID 118238287) is 1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one is C=CCC1(C(=O)C=C)CCNCC1.
What is the InChIKey of 1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one?
The InChIKey is PZIRLHZPMASIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-5-11(10(13)4-2)6-8-12-9-7-11/h3-4,12H,1-2,5-9H2.
What are the key properties of 1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one?
1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-2-enylpiperidin-4-yl)prop-2-en-1-one is sourced from PubChem (CID 118238287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).