3-butylidenepiperidin-2-one

C9H15NO — CID 57358306

IUPAC3-butylidenepiperidin-2-one
SMILESCCCC=C1CCCNC1=O
InChIInChI=1S/C9H15NO/c1-2-3-5-8-6-4-7-10-9(8)11/h5H,2-4,6-7H2,1H3,(H,10,11)
InChIKeyTXXJRCFFNMBHND-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.62
Rot. Bonds2

About 3-butylidenepiperidin-2-one

3-butylidenepiperidin-2-one (PubChem CID 57358306) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-butylidenepiperidin-2-one.

Molecular Properties

Compound Name3-butylidenepiperidin-2-one
PubChem CID57358306
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-butylidenepiperidin-2-one
SMILESCCCC=C1CCCNC1=O
InChIInChI=1S/C9H15NO/c1-2-3-5-8-6-4-7-10-9(8)11/h5H,2-4,6-7H2,1H3,(H,10,11)
InChIKeyTXXJRCFFNMBHND-UHFFFAOYSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-butylidenepiperidin-2-one?
The IUPAC name of 3-butylidenepiperidin-2-one (CID 57358306) is 3-butylidenepiperidin-2-one.
What is the SMILES notation for 3-butylidenepiperidin-2-one?
The canonical SMILES for 3-butylidenepiperidin-2-one is CCCC=C1CCCNC1=O.
What is the InChIKey of 3-butylidenepiperidin-2-one?
The InChIKey is TXXJRCFFNMBHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-5-8-6-4-7-10-9(8)11/h5H,2-4,6-7H2,1H3,(H,10,11).
What are the key properties of 3-butylidenepiperidin-2-one?
3-butylidenepiperidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylidenepiperidin-2-one is sourced from PubChem (CID 57358306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).