ethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde

C10H15NO3 — CID 145341910

IUPACethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde
SMILESCC.O=CCOCc1cc[nH]c(=O)c1
InChIInChI=1S/C8H9NO3.C2H6/c10-3-4-12-6-7-1-2-9-8(11)5-7;1-2/h1-3,5H,4,6H2,(H,9,11);1-2H3
InChIKeyXDAAWWCDNISZMR-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.12
Rot. Bonds4

About ethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde

ethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde (PubChem CID 145341910) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde.

Molecular Properties

Compound Nameethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde
PubChem CID145341910
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde
SMILESCC.O=CCOCc1cc[nH]c(=O)c1
InChIInChI=1S/C8H9NO3.C2H6/c10-3-4-12-6-7-1-2-9-8(11)5-7;1-2/h1-3,5H,4,6H2,(H,9,11);1-2H3
InChIKeyXDAAWWCDNISZMR-UHFFFAOYSA-N
XLogP1.12
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde?
The IUPAC name of ethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde (CID 145341910) is ethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde.
What is the SMILES notation for ethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde?
The canonical SMILES for ethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde is CC.O=CCOCc1cc[nH]c(=O)c1.
What is the InChIKey of ethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde?
The InChIKey is XDAAWWCDNISZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.C2H6/c10-3-4-12-6-7-1-2-9-8(11)5-7;1-2/h1-3,5H,4,6H2,(H,9,11);1-2H3.
What are the key properties of ethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde?
ethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde has a molecular weight of 197.23 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde is sourced from PubChem (CID 145341910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).