2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one

C13H23NO — CID 14248702

IUPAC2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one
SMILESC=C1CCCN(C(=O)C(C)(CC)CC)C1
InChIInChI=1S/C13H23NO/c1-5-13(4,6-2)12(15)14-9-7-8-11(3)10-14/h3,5-10H2,1-2,4H3
InChIKeyXYOPVCJZSBRTNM-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds3

About 2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one

2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one (PubChem CID 14248702) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one
PubChem CID14248702
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one
SMILESC=C1CCCN(C(=O)C(C)(CC)CC)C1
InChIInChI=1S/C13H23NO/c1-5-13(4,6-2)12(15)14-9-7-8-11(3)10-14/h3,5-10H2,1-2,4H3
InChIKeyXYOPVCJZSBRTNM-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one?
The IUPAC name of 2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one (CID 14248702) is 2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one?
The canonical SMILES for 2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one is C=C1CCCN(C(=O)C(C)(CC)CC)C1.
What is the InChIKey of 2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one?
The InChIKey is XYOPVCJZSBRTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-13(4,6-2)12(15)14-9-7-8-11(3)10-14/h3,5-10H2,1-2,4H3.
What are the key properties of 2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one?
2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one is sourced from PubChem (CID 14248702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).