1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one

C11H15NO — CID 142088728

IUPAC1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one
SMILESC=C/C=C\C(=C)N1CCC(=O)CC1
InChIInChI=1S/C11H15NO/c1-3-4-5-10(2)12-8-6-11(13)7-9-12/h3-5H,1-2,6-9H2/b5-4-
InChIKeyHPFKGNUTJWHKJX-PLNGDYQASA-N
MW177.25 g/mol
LogP1.91
Rot. Bonds3

About 1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one

1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one (PubChem CID 142088728) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one
PubChem CID142088728
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one
SMILESC=C/C=C\C(=C)N1CCC(=O)CC1
InChIInChI=1S/C11H15NO/c1-3-4-5-10(2)12-8-6-11(13)7-9-12/h3-5H,1-2,6-9H2/b5-4-
InChIKeyHPFKGNUTJWHKJX-PLNGDYQASA-N
XLogP1.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one?
The IUPAC name of 1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one (CID 142088728) is 1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one?
The canonical SMILES for 1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one is C=C/C=C\C(=C)N1CCC(=O)CC1.
What is the InChIKey of 1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one?
The InChIKey is HPFKGNUTJWHKJX-PLNGDYQASA-N. The full InChI is InChI=1S/C11H15NO/c1-3-4-5-10(2)12-8-6-11(13)7-9-12/h3-5H,1-2,6-9H2/b5-4-.
What are the key properties of 1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one?
1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one has a molecular weight of 177.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one is sourced from PubChem (CID 142088728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).