methyl 2-(1-acetylpiperidin-4-ylidene)acetate

C10H15NO3 — CID 130490640

IUPACmethyl 2-(1-acetylpiperidin-4-ylidene)acetate
SMILESCOC(=O)C=C1CCN(C(C)=O)CC1
InChIInChI=1S/C10H15NO3/c1-8(12)11-5-3-9(4-6-11)7-10(13)14-2/h7H,3-6H2,1-2H3
InChIKeyNAUCKYXGZQFXJT-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.73
Rot. Bonds1

About methyl 2-(1-acetylpiperidin-4-ylidene)acetate

methyl 2-(1-acetylpiperidin-4-ylidene)acetate (PubChem CID 130490640) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 2-(1-acetylpiperidin-4-ylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(1-acetylpiperidin-4-ylidene)acetate
PubChem CID130490640
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 2-(1-acetylpiperidin-4-ylidene)acetate
SMILESCOC(=O)C=C1CCN(C(C)=O)CC1
InChIInChI=1S/C10H15NO3/c1-8(12)11-5-3-9(4-6-11)7-10(13)14-2/h7H,3-6H2,1-2H3
InChIKeyNAUCKYXGZQFXJT-UHFFFAOYSA-N
XLogP0.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-acetylpiperidin-4-ylidene)acetate?
The IUPAC name of methyl 2-(1-acetylpiperidin-4-ylidene)acetate (CID 130490640) is methyl 2-(1-acetylpiperidin-4-ylidene)acetate.
What is the SMILES notation for methyl 2-(1-acetylpiperidin-4-ylidene)acetate?
The canonical SMILES for methyl 2-(1-acetylpiperidin-4-ylidene)acetate is COC(=O)C=C1CCN(C(C)=O)CC1.
What is the InChIKey of methyl 2-(1-acetylpiperidin-4-ylidene)acetate?
The InChIKey is NAUCKYXGZQFXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-8(12)11-5-3-9(4-6-11)7-10(13)14-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 2-(1-acetylpiperidin-4-ylidene)acetate?
methyl 2-(1-acetylpiperidin-4-ylidene)acetate has a molecular weight of 197.23 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-acetylpiperidin-4-ylidene)acetate is sourced from PubChem (CID 130490640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).