3-Methylidene-1-pentan-3-ylpiperidin-2-one

C11H19NO — CID 101737967

IUPAC3-methylidene-1-pentan-3-ylpiperidin-2-one
SMILESCCC(CC)N1CCCC(=C)C1=O
InChIInChI=1S/C11H19NO/c1-4-10(5-2)12-8-6-7-9(3)11(12)13/h10H,3-8H2,1-2H3
InChIKeyNFFHAJFJXPBPHG-UHFFFAOYSA-N
MW181.27 g/mol
LogP2.60
Rot. Bonds3

About 3-Methylidene-1-pentan-3-ylpiperidin-2-one

3-Methylidene-1-pentan-3-ylpiperidin-2-one (PubChem CID 101737967) has the molecular formula C11H19NO and a molecular weight of 181.27 g/mol. Its IUPAC name is 3-methylidene-1-pentan-3-ylpiperidin-2-one.

Molecular Properties

Compound Name3-Methylidene-1-pentan-3-ylpiperidin-2-one
PubChem CID101737967
Molecular FormulaC11H19NO
Molecular Weight181.27 g/mol
Exact Mass181.15
IUPAC Name3-methylidene-1-pentan-3-ylpiperidin-2-one
SMILESCCC(CC)N1CCCC(=C)C1=O
InChIInChI=1S/C11H19NO/c1-4-10(5-2)12-8-6-7-9(3)11(12)13/h10H,3-8H2,1-2H3
InChIKeyNFFHAJFJXPBPHG-UHFFFAOYSA-N
XLogP2.60
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity206

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-methylidenepiperidin-2-one
CID 10486852
N-methacryloyl piperidone
CID 17780922
(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one
CID 11385532
1-Cyclohexyl-4-ethyl-3-methylideneazetidin-2-one
CID 12680774
6-Methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one
CID 102384804
4-Pentenamide, 4-[(diethylamino)methyl]-N,N-diethyl-2-methylene-
CID 551851
4-Pentenamide, N,N-diethyl-4-methyl-2-methylene-
CID 556830
5,5-Dimethyl-3-methylidene-1-propylpiperidin-2-one
CID 14356470
N,N-diethyl-2-methylidenepentanamide
CID 12525277
N,N-diethyl-2-methylidenehexanamide
CID 12525278
(3E)-3-ethylidene-1-methylpiperidin-2-one
CID 14785615
4-Ethenylidene-1-ethyl-3-methylidenepiperidin-2-one
CID 20689742

Frequently Asked Questions

What is the IUPAC name of 3-Methylidene-1-pentan-3-ylpiperidin-2-one?
The IUPAC name of 3-Methylidene-1-pentan-3-ylpiperidin-2-one (CID 101737967) is 3-methylidene-1-pentan-3-ylpiperidin-2-one.
What is the SMILES notation for 3-Methylidene-1-pentan-3-ylpiperidin-2-one?
The canonical SMILES for 3-Methylidene-1-pentan-3-ylpiperidin-2-one is CCC(CC)N1CCCC(=C)C1=O.
What is the InChIKey of 3-Methylidene-1-pentan-3-ylpiperidin-2-one?
The InChIKey is NFFHAJFJXPBPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-10(5-2)12-8-6-7-9(3)11(12)13/h10H,3-8H2,1-2H3.
What are the key properties of 3-Methylidene-1-pentan-3-ylpiperidin-2-one?
3-Methylidene-1-pentan-3-ylpiperidin-2-one has a molecular weight of 181.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Methylidene-1-pentan-3-ylpiperidin-2-one is sourced from PubChem (CID 101737967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).