2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde

C18H17NO3 — CID 14518003

IUPAC2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde
SMILESCC1=C(n2ccccc2=O)c2cc(C=O)ccc2OC1(C)C
InChIInChI=1S/C18H17NO3/c1-12-17(19-9-5-4-6-16(19)21)14-10-13(11-20)7-8-15(14)22-18(12,2)3/h4-11H,1-3H3
InChIKeyGILJCPBRFZBPTM-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.11
Rot. Bonds2

About 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde

2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde (PubChem CID 14518003) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde.

Molecular Properties

Compound Name2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde
PubChem CID14518003
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde
SMILESCC1=C(n2ccccc2=O)c2cc(C=O)ccc2OC1(C)C
InChIInChI=1S/C18H17NO3/c1-12-17(19-9-5-4-6-16(19)21)14-10-13(11-20)7-8-15(14)22-18(12,2)3/h4-11H,1-3H3
InChIKeyGILJCPBRFZBPTM-UHFFFAOYSA-N
XLogP3.11
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.11
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 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde?
The IUPAC name of 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde (CID 14518003) is 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde.
What is the SMILES notation for 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde?
The canonical SMILES for 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde is CC1=C(n2ccccc2=O)c2cc(C=O)ccc2OC1(C)C.
What is the InChIKey of 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde?
The InChIKey is GILJCPBRFZBPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-17(19-9-5-4-6-16(19)21)14-10-13(11-20)7-8-15(14)22-18(12,2)3/h4-11H,1-3H3.
What are the key properties of 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde?
2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde has a molecular weight of 295.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbaldehyde is sourced from PubChem (CID 14518003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).