1-methyl-3-methylidenepiperidin-2-one

C7H11NO — CID 10486852

IUPAC1-methyl-3-methylidenepiperidin-2-one
SMILESC=C1CCCN(C)C1=O
InChIInChI=1S/C7H11NO/c1-6-4-3-5-8(2)7(6)9/h1,3-5H2,2H3
InChIKeyNNYWTYAXHYQBND-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds

About 1-methyl-3-methylidenepiperidin-2-one

1-methyl-3-methylidenepiperidin-2-one (PubChem CID 10486852) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-methyl-3-methylidenepiperidin-2-one.

Molecular Properties

Compound Name1-methyl-3-methylidenepiperidin-2-one
PubChem CID10486852
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-methyl-3-methylidenepiperidin-2-one
SMILESC=C1CCCN(C)C1=O
InChIInChI=1S/C7H11NO/c1-6-4-3-5-8(2)7(6)9/h1,3-5H2,2H3
InChIKeyNNYWTYAXHYQBND-UHFFFAOYSA-N
XLogP0.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.79
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

n-Methacryloylpiperidine
CID 3070236
3-Methylidene-2-piperidinone
CID 11182589
N-methacryloyl piperidone
CID 17780922
(3E)-3-(chloromethylidene)-1-methylpiperidin-2-one
CID 1712854
(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one
CID 11385532
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
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylidenepiperidin-2-one?
The IUPAC name of 1-methyl-3-methylidenepiperidin-2-one (CID 10486852) is 1-methyl-3-methylidenepiperidin-2-one.
What is the SMILES notation for 1-methyl-3-methylidenepiperidin-2-one?
The canonical SMILES for 1-methyl-3-methylidenepiperidin-2-one is C=C1CCCN(C)C1=O.
What is the InChIKey of 1-methyl-3-methylidenepiperidin-2-one?
The InChIKey is NNYWTYAXHYQBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-4-3-5-8(2)7(6)9/h1,3-5H2,2H3.
What are the key properties of 1-methyl-3-methylidenepiperidin-2-one?
1-methyl-3-methylidenepiperidin-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidenepiperidin-2-one is sourced from PubChem (CID 10486852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).