2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde

C10H11NO3 — CID 90711794

IUPAC2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde
SMILESCC(C)n1cc(C(=O)C=O)ccc1=O
InChIInChI=1S/C10H11NO3/c1-7(2)11-5-8(9(13)6-12)3-4-10(11)14/h3-7H,1-2H3
InChIKeyDTFPTLFIUXUGOT-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.81
Rot. Bonds3

About 2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde

2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde (PubChem CID 90711794) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde
PubChem CID90711794
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde
SMILESCC(C)n1cc(C(=O)C=O)ccc1=O
InChIInChI=1S/C10H11NO3/c1-7(2)11-5-8(9(13)6-12)3-4-10(11)14/h3-7H,1-2H3
InChIKeyDTFPTLFIUXUGOT-UHFFFAOYSA-N
XLogP0.81
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-formyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382564
5-Acetyl-1-methylpyridin-2(1H)-one
CID 14665251
1-Propan-2-yl-5-(2,2,2-trifluoroacetyl)pyridin-2-one
CID 172415018
1-Ethyl-6-oxo-1,6-dihydropyridine-3-carbaldehyde
CID 45083709
6-Oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 45096256
CID 59303592
CID 59303592
CID 59303714
CID 59303714
5-Acetyl-1-ethylpyridin-2(1H)-one
CID 68332611
4-Acetyl-1-ethylpyridin-2-one
CID 68366463
5-acetyl-1-isopropyl-2(1H)-pyridone
CID 69102719
2-(1-Methyl-6-oxo-3-pyridinyl)-2-oxoacetaldehyde
CID 91192610
1-Isopropyl-2-oxo-1,2-dihydropyridine-4-carbaldehyde
CID 105432638

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde?
The IUPAC name of 2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde (CID 90711794) is 2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde?
The canonical SMILES for 2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde is CC(C)n1cc(C(=O)C=O)ccc1=O.
What is the InChIKey of 2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde?
The InChIKey is DTFPTLFIUXUGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(2)11-5-8(9(13)6-12)3-4-10(11)14/h3-7H,1-2H3.
What are the key properties of 2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde?
2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde has a molecular weight of 193.20 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)acetaldehyde is sourced from PubChem (CID 90711794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).