5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one

C11H19NO — CID 14356470

IUPAC5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one
SMILESC=C1CC(C)(C)CN(CCC)C1=O
InChIInChI=1S/C11H19NO/c1-5-6-12-8-11(3,4)7-9(2)10(12)13/h2,5-8H2,1,3-4H3
InChIKeyCAAJMYOQTKTUHT-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds2

About 5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one

5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one (PubChem CID 14356470) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one
PubChem CID14356470
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one
SMILESC=C1CC(C)(C)CN(CCC)C1=O
InChIInChI=1S/C11H19NO/c1-5-6-12-8-11(3,4)7-9(2)10(12)13/h2,5-8H2,1,3-4H3
InChIKeyCAAJMYOQTKTUHT-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.21
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
(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one
CID 11385532
1-Methyl-3,3-bis(prop-2-enyl)piperidin-2-one
CID 86255490
3-Methylidene-1-pentan-3-ylpiperidin-2-one
CID 101737967
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
2-Ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one
CID 14248702
N,N-diethyl-2-methylidenepentanamide
CID 12525277
4-Ethenylidene-1-ethyl-3-methylidenepiperidin-2-one
CID 20689742
1-Ethyl-3-methylidenepiperidin-2-one
CID 23382666
1-Ethyl-6,6-dimethyl-3-methylideneazepan-2-one
CID 23382668

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one?
The IUPAC name of 5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one (CID 14356470) is 5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one is C=C1CC(C)(C)CN(CCC)C1=O.
What is the InChIKey of 5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one?
The InChIKey is CAAJMYOQTKTUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-12-8-11(3,4)7-9(2)10(12)13/h2,5-8H2,1,3-4H3.
What are the key properties of 5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one?
5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-methylidene-1-propylpiperidin-2-one is sourced from PubChem (CID 14356470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).