2-propan-2-yl-1-prop-2-enylpiperidin-4-one

C11H19NO — CID 146657831

IUPAC2-propan-2-yl-1-prop-2-enylpiperidin-4-one
SMILESC=CCN1CCC(=O)CC1C(C)C
InChIInChI=1S/C11H19NO/c1-4-6-12-7-5-10(13)8-11(12)9(2)3/h4,9,11H,1,5-8H2,2-3H3
InChIKeySQWKROZDLPPZMG-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds3

About 2-propan-2-yl-1-prop-2-enylpiperidin-4-one

2-propan-2-yl-1-prop-2-enylpiperidin-4-one (PubChem CID 146657831) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-propan-2-yl-1-prop-2-enylpiperidin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-1-prop-2-enylpiperidin-4-one
PubChem CID146657831
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-propan-2-yl-1-prop-2-enylpiperidin-4-one
SMILESC=CCN1CCC(=O)CC1C(C)C
InChIInChI=1S/C11H19NO/c1-4-6-12-7-5-10(13)8-11(12)9(2)3/h4,9,11H,1,5-8H2,2-3H3
InChIKeySQWKROZDLPPZMG-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-prop-2-enylpiperidin-4-one?
The IUPAC name of 2-propan-2-yl-1-prop-2-enylpiperidin-4-one (CID 146657831) is 2-propan-2-yl-1-prop-2-enylpiperidin-4-one.
What is the SMILES notation for 2-propan-2-yl-1-prop-2-enylpiperidin-4-one?
The canonical SMILES for 2-propan-2-yl-1-prop-2-enylpiperidin-4-one is C=CCN1CCC(=O)CC1C(C)C.
What is the InChIKey of 2-propan-2-yl-1-prop-2-enylpiperidin-4-one?
The InChIKey is SQWKROZDLPPZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-6-12-7-5-10(13)8-11(12)9(2)3/h4,9,11H,1,5-8H2,2-3H3.
What are the key properties of 2-propan-2-yl-1-prop-2-enylpiperidin-4-one?
2-propan-2-yl-1-prop-2-enylpiperidin-4-one has a molecular weight of 181.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-prop-2-enylpiperidin-4-one is sourced from PubChem (CID 146657831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).