1-but-1-enylpiperidin-2-one

C9H15NO — CID 54000386

IUPAC1-but-1-enylpiperidin-2-one
SMILESCCC=CN1CCCCC1=O
InChIInChI=1S/C9H15NO/c1-2-3-7-10-8-5-4-6-9(10)11/h3,7H,2,4-6,8H2,1H3
InChIKeyKLDRAQAWMGEEOS-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.92
Rot. Bonds2

About 1-but-1-enylpiperidin-2-one

1-but-1-enylpiperidin-2-one (PubChem CID 54000386) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-but-1-enylpiperidin-2-one.

Molecular Properties

Compound Name1-but-1-enylpiperidin-2-one
PubChem CID54000386
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-but-1-enylpiperidin-2-one
SMILESCCC=CN1CCCCC1=O
InChIInChI=1S/C9H15NO/c1-2-3-7-10-8-5-4-6-9(10)11/h3,7H,2,4-6,8H2,1H3
InChIKeyKLDRAQAWMGEEOS-UHFFFAOYSA-N
XLogP1.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-enylpiperidin-2-one?
The IUPAC name of 1-but-1-enylpiperidin-2-one (CID 54000386) is 1-but-1-enylpiperidin-2-one.
What is the SMILES notation for 1-but-1-enylpiperidin-2-one?
The canonical SMILES for 1-but-1-enylpiperidin-2-one is CCC=CN1CCCCC1=O.
What is the InChIKey of 1-but-1-enylpiperidin-2-one?
The InChIKey is KLDRAQAWMGEEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-7-10-8-5-4-6-9(10)11/h3,7H,2,4-6,8H2,1H3.
What are the key properties of 1-but-1-enylpiperidin-2-one?
1-but-1-enylpiperidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enylpiperidin-2-one is sourced from PubChem (CID 54000386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).