2-ethylidene-1-methylpiperidin-4-one

C8H13NO — CID 70610707

IUPAC2-ethylidene-1-methylpiperidin-4-one
SMILESCC=C1CC(=O)CCN1C
InChIInChI=1S/C8H13NO/c1-3-7-6-8(10)4-5-9(7)2/h3H,4-6H2,1-2H3
InChIKeyFFMJXJHFZHAPDW-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds

About 2-ethylidene-1-methylpiperidin-4-one

2-ethylidene-1-methylpiperidin-4-one (PubChem CID 70610707) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-ethylidene-1-methylpiperidin-4-one.

Molecular Properties

Compound Name2-ethylidene-1-methylpiperidin-4-one
PubChem CID70610707
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-ethylidene-1-methylpiperidin-4-one
SMILESCC=C1CC(=O)CCN1C
InChIInChI=1S/C8H13NO/c1-3-7-6-8(10)4-5-9(7)2/h3H,4-6H2,1-2H3
InChIKeyFFMJXJHFZHAPDW-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-1-methylpiperidin-4-one?
The IUPAC name of 2-ethylidene-1-methylpiperidin-4-one (CID 70610707) is 2-ethylidene-1-methylpiperidin-4-one.
What is the SMILES notation for 2-ethylidene-1-methylpiperidin-4-one?
The canonical SMILES for 2-ethylidene-1-methylpiperidin-4-one is CC=C1CC(=O)CCN1C.
What is the InChIKey of 2-ethylidene-1-methylpiperidin-4-one?
The InChIKey is FFMJXJHFZHAPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-7-6-8(10)4-5-9(7)2/h3H,4-6H2,1-2H3.
What are the key properties of 2-ethylidene-1-methylpiperidin-4-one?
2-ethylidene-1-methylpiperidin-4-one has a molecular weight of 139.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-1-methylpiperidin-4-one is sourced from PubChem (CID 70610707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).