1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one

C11H19NO — CID 59305263

IUPAC1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one
SMILESCC(C)=C1C(=O)CCCN1C(C)C
InChIInChI=1S/C11H19NO/c1-8(2)11-10(13)6-5-7-12(11)9(3)4/h9H,5-7H2,1-4H3
InChIKeyUCEWTKHOGZZLPC-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.35
Rot. Bonds1

About 1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one

1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one (PubChem CID 59305263) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one.

Molecular Properties

Compound Name1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one
PubChem CID59305263
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one
SMILESCC(C)=C1C(=O)CCCN1C(C)C
InChIInChI=1S/C11H19NO/c1-8(2)11-10(13)6-5-7-12(11)9(3)4/h9H,5-7H2,1-4H3
InChIKeyUCEWTKHOGZZLPC-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one?
The IUPAC name of 1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one (CID 59305263) is 1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one.
What is the SMILES notation for 1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one?
The canonical SMILES for 1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one is CC(C)=C1C(=O)CCCN1C(C)C.
What is the InChIKey of 1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one?
The InChIKey is UCEWTKHOGZZLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)11-10(13)6-5-7-12(11)9(3)4/h9H,5-7H2,1-4H3.
What are the key properties of 1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one?
1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one has a molecular weight of 181.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-propan-2-ylidenepiperidin-3-one is sourced from PubChem (CID 59305263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).