methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate

C9H15NO2 — CID 177162204

IUPACmethyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate
SMILESCOC(=O)/C=C1\CCNC(C)C1
InChIInChI=1S/C9H15NO2/c1-7-5-8(3-4-10-7)6-9(11)12-2/h6-7,10H,3-5H2,1-2H3/b8-6+
InChIKeySCIKIHNTRCLDNJ-SOFGYWHQSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds1

About methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate

methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate (PubChem CID 177162204) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate
PubChem CID177162204
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate
SMILESCOC(=O)/C=C1\CCNC(C)C1
InChIInChI=1S/C9H15NO2/c1-7-5-8(3-4-10-7)6-9(11)12-2/h6-7,10H,3-5H2,1-2H3/b8-6+
InChIKeySCIKIHNTRCLDNJ-SOFGYWHQSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2E)-2-(azepan-4-ylidene)acetate
CID 83846133
methyl 2-(1,1-dioxothian-4-ylidene)acetate
CID 79025898
(3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol
CID 142933374
methyl 2-(4-cyclohexylcyclohexylidene)acetate
CID 118992205
methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate
CID 107449473
methyl 2-(1-acetylpiperidin-4-ylidene)acetate
CID 130490640
methyl 2-[4-(methoxymethyl)cyclohexylidene]acetate
CID 13460372
methyl 2-(3-cyanocyclobutylidene)acetate
CID 155321008
methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate
CID 83847795
methyl 2-[4-(4-carbamoylphenyl)cyclohexylidene]acetate
CID 174776582
(4Z)-2-tert-butyl-4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylic acid
CID 69088682
2-tert-butyl-4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylic acid
CID 69088683

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate?
The IUPAC name of methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate (CID 177162204) is methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate?
The canonical SMILES for methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate is COC(=O)/C=C1\CCNC(C)C1.
What is the InChIKey of methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate?
The InChIKey is SCIKIHNTRCLDNJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-5-8(3-4-10-7)6-9(11)12-2/h6-7,10H,3-5H2,1-2H3/b8-6+.
What are the key properties of methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate?
methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate has a molecular weight of 169.22 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate is sourced from PubChem (CID 177162204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).