carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one

C14H15NO4 — CID 158537394

IUPACcarbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one
SMILESC=C1CCN(c2ccccc2OC)C(=O)C1.O=C=O
InChIInChI=1S/C13H15NO2.CO2/c1-10-7-8-14(13(15)9-10)11-5-3-4-6-12(11)16-2;2-1-3/h3-6H,1,7-9H2,2H3;
InChIKeyHOCKSHMORHOKAF-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.79
Rot. Bonds2

About carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one

carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one (PubChem CID 158537394) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one.

Molecular Properties

Compound Namecarbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one
PubChem CID158537394
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namecarbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one
SMILESC=C1CCN(c2ccccc2OC)C(=O)C1.O=C=O
InChIInChI=1S/C13H15NO2.CO2/c1-10-7-8-14(13(15)9-10)11-5-3-4-6-12(11)16-2;2-1-3/h3-6H,1,7-9H2,2H3;
InChIKeyHOCKSHMORHOKAF-UHFFFAOYSA-N
XLogP1.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7,16-bis(2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
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4-isocyanato-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 82024637
10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64956352
4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one
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1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione
CID 146074791
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
1-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoyl]piperazin-2-one
CID 70726432
1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one
CID 88725731
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551
2-[4-(2-methoxyphenyl)-3-oxopiperazin-1-yl]sulfonylbenzonitrile
CID 119062200
4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 17233930
1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione
CID 79516147

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one?
The IUPAC name of carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one (CID 158537394) is carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one.
What is the SMILES notation for carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one?
The canonical SMILES for carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one is C=C1CCN(c2ccccc2OC)C(=O)C1.O=C=O.
What is the InChIKey of carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one?
The InChIKey is HOCKSHMORHOKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.CO2/c1-10-7-8-14(13(15)9-10)11-5-3-4-6-12(11)16-2;2-1-3/h3-6H,1,7-9H2,2H3;.
What are the key properties of carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one?
carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one has a molecular weight of 261.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one is sourced from PubChem (CID 158537394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).