4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane

C19H30N2O2 — CID 145302268

IUPAC4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane
SMILESC=Cc1cc(C2CCN(C=O)CC2)c(=O)[nH]c1C=C.CC.CC
InChIInChI=1S/C15H18N2O2.2C2H6/c1-3-11-9-13(15(19)16-14(11)4-2)12-5-7-17(10-18)8-6-12;2*1-2/h3-4,9-10,12H,1-2,5-8H2,(H,16,19);2*1-2H3
InChIKeyUJJVYSOWCNSJSS-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.05
Rot. Bonds4

About 4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane

4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane (PubChem CID 145302268) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane.

Molecular Properties

Compound Name4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane
PubChem CID145302268
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane
SMILESC=Cc1cc(C2CCN(C=O)CC2)c(=O)[nH]c1C=C.CC.CC
InChIInChI=1S/C15H18N2O2.2C2H6/c1-3-11-9-13(15(19)16-14(11)4-2)12-5-7-17(10-18)8-6-12;2*1-2/h3-4,9-10,12H,1-2,5-8H2,(H,16,19);2*1-2H3
InChIKeyUJJVYSOWCNSJSS-UHFFFAOYSA-N
XLogP4.05
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane?
The IUPAC name of 4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane (CID 145302268) is 4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane.
What is the SMILES notation for 4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane?
The canonical SMILES for 4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane is C=Cc1cc(C2CCN(C=O)CC2)c(=O)[nH]c1C=C.CC.CC.
What is the InChIKey of 4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane?
The InChIKey is UJJVYSOWCNSJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.2C2H6/c1-3-11-9-13(15(19)16-14(11)4-2)12-5-7-17(10-18)8-6-12;2*1-2/h3-4,9-10,12H,1-2,5-8H2,(H,16,19);2*1-2H3.
What are the key properties of 4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane?
4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane has a molecular weight of 318.46 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane is sourced from PubChem (CID 145302268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).