(1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone

C8H11NO2 — CID 174439652

IUPAC(1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone
SMILESCCON1CC=CCC1=C=O
InChIInChI=1S/C8H11NO2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-4H,2,5-6H2,1H3
InChIKeyGSKDUAYWOOKNMM-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.92
Rot. Bonds2

About (1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone

(1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone (PubChem CID 174439652) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone.

Molecular Properties

Compound Name(1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone
PubChem CID174439652
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone
SMILESCCON1CC=CCC1=C=O
InChIInChI=1S/C8H11NO2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-4H,2,5-6H2,1H3
InChIKeyGSKDUAYWOOKNMM-UHFFFAOYSA-N
XLogP0.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone?
The IUPAC name of (1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone (CID 174439652) is (1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone.
What is the SMILES notation for (1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone?
The canonical SMILES for (1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone is CCON1CC=CCC1=C=O.
What is the InChIKey of (1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone?
The InChIKey is GSKDUAYWOOKNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-4H,2,5-6H2,1H3.
What are the key properties of (1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone?
(1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone has a molecular weight of 153.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-2,5-dihydropyridin-6-ylidene)methanone is sourced from PubChem (CID 174439652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).