2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde

C17H15NO3 — CID 14182563

IUPAC2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(C=O)ccc2O1
InChIInChI=1S/C17H15NO3/c1-17(2)10-14(18-8-4-3-5-16(18)20)13-9-12(11-19)6-7-15(13)21-17/h3-11H,1-2H3
InChIKeySEUHPJVDXFLOCH-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.72
Rot. Bonds2

About 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde

2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde (PubChem CID 14182563) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde
PubChem CID14182563
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(C=O)ccc2O1
InChIInChI=1S/C17H15NO3/c1-17(2)10-14(18-8-4-3-5-16(18)20)13-9-12(11-19)6-7-15(13)21-17/h3-11H,1-2H3
InChIKeySEUHPJVDXFLOCH-UHFFFAOYSA-N
XLogP2.72
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde?
The IUPAC name of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde (CID 14182563) is 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde.
What is the SMILES notation for 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde?
The canonical SMILES for 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde is CC1(C)C=C(n2ccccc2=O)c2cc(C=O)ccc2O1.
What is the InChIKey of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde?
The InChIKey is SEUHPJVDXFLOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-17(2)10-14(18-8-4-3-5-16(18)20)13-9-12(11-19)6-7-15(13)21-17/h3-11H,1-2H3.
What are the key properties of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde?
2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde has a molecular weight of 281.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde is sourced from PubChem (CID 14182563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).