1-(2-methoxyethyl)-3-methylidenepiperidin-2-one

C9H15NO2 — CID 23382661

IUPAC1-(2-methoxyethyl)-3-methylidenepiperidin-2-one
SMILESC=C1CCCN(CCOC)C1=O
InChIInChI=1S/C9H15NO2/c1-8-4-3-5-10(9(8)11)6-7-12-2/h1,3-7H2,2H3
InChIKeyDQCGFFIWNLVTAQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds3

About 1-(2-methoxyethyl)-3-methylidenepiperidin-2-one

1-(2-methoxyethyl)-3-methylidenepiperidin-2-one (PubChem CID 23382661) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methylidenepiperidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methylidenepiperidin-2-one
PubChem CID23382661
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(2-methoxyethyl)-3-methylidenepiperidin-2-one
SMILESC=C1CCCN(CCOC)C1=O
InChIInChI=1S/C9H15NO2/c1-8-4-3-5-10(9(8)11)6-7-12-2/h1,3-7H2,2H3
InChIKeyDQCGFFIWNLVTAQ-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
2,2-Difluoro-4-methyl-1-morpholinopent-4-en-1-one
CID 168720309
(E)-1-morpholin-4-yl-2-propylhex-2-en-1-one
CID 101466463
(E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one
CID 134897999
2-Methylidene-5-morpholin-4-ylpentanamide
CID 19933792
1-Ethyl-3-methylidenepiperidin-2-one
CID 23382666
3-Methylidene-1-propan-2-ylpiperidin-2-one
CID 23528077
3-Methylidene-1-propylpiperidin-2-one
CID 53387962
2-Piperidinone, 3-(hydroxymethylene)-1-methyl-
CID 86249464
2-Methylidene-1-morpholin-4-ylbutan-1-one
CID 90856738
(3E)-1-ethyl-3-(hydroxymethylidene)piperidin-2-one
CID 118940987
sodium (E)-(1-ethyl-2-oxopiperidin-3-ylidene)methanolate
CID 140705986

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-methylidenepiperidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-methylidenepiperidin-2-one (CID 23382661) is 1-(2-methoxyethyl)-3-methylidenepiperidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methylidenepiperidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-methylidenepiperidin-2-one is C=C1CCCN(CCOC)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-methylidenepiperidin-2-one?
The InChIKey is DQCGFFIWNLVTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8-4-3-5-10(9(8)11)6-7-12-2/h1,3-7H2,2H3.
What are the key properties of 1-(2-methoxyethyl)-3-methylidenepiperidin-2-one?
1-(2-methoxyethyl)-3-methylidenepiperidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methylidenepiperidin-2-one is sourced from PubChem (CID 23382661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).