1-[4-(oxomethylidene)piperidin-1-yl]ethanone

C8H11NO2 — CID 134874248

IUPAC1-[4-(oxomethylidene)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(=C=O)CC1
InChIInChI=1S/C8H11NO2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H2,1H3
InChIKeyLIJLYAIIGYELRE-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.39
Rot. Bonds

About 1-[4-(oxomethylidene)piperidin-1-yl]ethanone

1-[4-(oxomethylidene)piperidin-1-yl]ethanone (PubChem CID 134874248) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-[4-(oxomethylidene)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(oxomethylidene)piperidin-1-yl]ethanone
PubChem CID134874248
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-[4-(oxomethylidene)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(=C=O)CC1
InChIInChI=1S/C8H11NO2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H2,1H3
InChIKeyLIJLYAIIGYELRE-UHFFFAOYSA-N
XLogP0.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperidine, 1-acetyl-4-ethylidene-
CID 45085969
1-(4-Methylenepiperidin-1-yl)ethanone
CID 2794962
3-Methyl-1-piperidin-1-ylbut-3-en-1-one
CID 21041611
2-Methyl-1-piperidin-1-ylpenta-3,4-dien-1-one
CID 91264485
2,2-Dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 118683602
1-(4-Methylidenepiperidin-1-yl)propan-1-one
CID 126988427
1-(2-Methyl-4-methylidenepiperidin-1-yl)ethanone
CID 134165353
Ethyl 4-(oxomethylidene)piperidine-1-carboxylate
CID 142340220
Ethane;1-(4-methylidenepiperidin-1-yl)ethanone
CID 143008348
2,2-Dimethylpropane;1-(4-methylidenepiperidin-1-yl)ethanone
CID 144201577
(1-Methylpiperidin-4-ylidene)methanone
CID 151262427
1-(4-Propan-2-ylidenepiperidin-1-yl)ethanone
CID 156516506

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxomethylidene)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(oxomethylidene)piperidin-1-yl]ethanone (CID 134874248) is 1-[4-(oxomethylidene)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(oxomethylidene)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(oxomethylidene)piperidin-1-yl]ethanone is CC(=O)N1CCC(=C=O)CC1.
What is the InChIKey of 1-[4-(oxomethylidene)piperidin-1-yl]ethanone?
The InChIKey is LIJLYAIIGYELRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H2,1H3.
What are the key properties of 1-[4-(oxomethylidene)piperidin-1-yl]ethanone?
1-[4-(oxomethylidene)piperidin-1-yl]ethanone has a molecular weight of 153.18 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxomethylidene)piperidin-1-yl]ethanone is sourced from PubChem (CID 134874248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).