ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one

C13H23NO2 — CID 143433046

IUPACethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one
SMILESC=CO/C(=C\C)C(=O)N1CCCCC1.CC
InChIInChI=1S/C11H17NO2.C2H6/c1-3-10(14-4-2)11(13)12-8-6-5-7-9-12;1-2/h3-4H,2,5-9H2,1H3;1-2H3/b10-3-;
InChIKeyOHBKOQOMGFPTSU-HVHUWTQGSA-N
MW225.33 g/mol
LogP3.09
Rot. Bonds3

About ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one

ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one (PubChem CID 143433046) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one.

Molecular Properties

Compound Nameethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one
PubChem CID143433046
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one
SMILESC=CO/C(=C\C)C(=O)N1CCCCC1.CC
InChIInChI=1S/C11H17NO2.C2H6/c1-3-10(14-4-2)11(13)12-8-6-5-7-9-12;1-2/h3-4H,2,5-9H2,1H3;1-2H3/b10-3-;
InChIKeyOHBKOQOMGFPTSU-HVHUWTQGSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-ethenoxybut-2-enoic acid
CID 142329685
1-(azepan-1-yl)-2-methylprop-2-en-1-one
CID 22146478
ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 143432940
2-(bromomethyl)-1-piperidin-1-ylprop-2-en-1-one
CID 19611279
3-methyl-1-pyrrolidin-1-ylbut-3-ene-1,2-dione
CID 71318871
methyl (Z)-2-ethenoxybut-2-enoate
CID 143080515
4-ethenoxy-2-methylhexa-1,4-dien-3-one
CID 123413127
(Z)-4-(azocan-1-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55168115
acetaldehyde;1-pyrrolidin-1-ylprop-2-en-1-one
CID 156736748
ethane;1-prop-1-en-2-ylpiperidine
CID 142839582
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821
3-iodo-2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 173171873

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one?
The IUPAC name of ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one (CID 143433046) is ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one.
What is the SMILES notation for ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one?
The canonical SMILES for ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one is C=CO/C(=C\C)C(=O)N1CCCCC1.CC.
What is the InChIKey of ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one?
The InChIKey is OHBKOQOMGFPTSU-HVHUWTQGSA-N. The full InChI is InChI=1S/C11H17NO2.C2H6/c1-3-10(14-4-2)11(13)12-8-6-5-7-9-12;1-2/h3-4H,2,5-9H2,1H3;1-2H3/b10-3-;.
What are the key properties of ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one?
ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one has a molecular weight of 225.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one is sourced from PubChem (CID 143433046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).