ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate

C9H16NO2P — CID 59395234

IUPACethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate
SMILESCCOC(=O)C=C1CCN(P)CC1
InChIInChI=1S/C9H16NO2P/c1-2-12-9(11)7-8-3-5-10(13)6-4-8/h7H,2-6,13H2,1H3
InChIKeyAHMDKOKBGAYKEZ-UHFFFAOYSA-N
MW201.21 g/mol
LogP1.36
Rot. Bonds2

About ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate

ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate (PubChem CID 59395234) has the molecular formula C9H16NO2P and a molecular weight of 201.21 g/mol. Its IUPAC name is ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate
PubChem CID59395234
Molecular FormulaC9H16NO2P
Molecular Weight201.21 g/mol
Exact Mass201.09
IUPAC Nameethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate
SMILESCCOC(=O)C=C1CCN(P)CC1
InChIInChI=1S/C9H16NO2P/c1-2-12-9(11)7-8-3-5-10(13)6-4-8/h7H,2-6,13H2,1H3
InChIKeyAHMDKOKBGAYKEZ-UHFFFAOYSA-N
XLogP1.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl 2-(1,1-dihydroxythian-4-ylidene)acetate
CID 130201775
2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane
CID 159790396
ethyl (2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)acetate
CID 129213016
ethyl 2-pyrrolidin-3-ylideneacetate;hydrochloride
CID 171369976
ethyl 2-(1-benzylpiperidin-4-ylidene)acetate;hydrochloride
CID 13349685
ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate
CID 151101433
(7E)-7-(2-ethoxy-2-oxoethylidene)-4-azaspiro[2.5]octane-4-carboxylic acid
CID 174159887
ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate
CID 142907959
ethyl 2-(1,1-dihydroxythietan-3-ylidene)acetate
CID 130201757
ethyl 2-(oxolan-3-ylidene)acetate
CID 123997047
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate?
The IUPAC name of ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate (CID 59395234) is ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate.
What is the SMILES notation for ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate?
The canonical SMILES for ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate is CCOC(=O)C=C1CCN(P)CC1.
What is the InChIKey of ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate?
The InChIKey is AHMDKOKBGAYKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO2P/c1-2-12-9(11)7-8-3-5-10(13)6-4-8/h7H,2-6,13H2,1H3.
What are the key properties of ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate?
ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate has a molecular weight of 201.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate is sourced from PubChem (CID 59395234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).