5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde

C14H15NO2 — CID 122219571

IUPAC5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde
SMILESCc1c(C=O)oc(N(C)C)c1-c1ccccc1
InChIInChI=1S/C14H15NO2/c1-10-12(9-16)17-14(15(2)3)13(10)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyASIIAJQMCGGUSB-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.13
Rot. Bonds3

About 5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde

5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde (PubChem CID 122219571) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde
PubChem CID122219571
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde
SMILESCc1c(C=O)oc(N(C)C)c1-c1ccccc1
InChIInChI=1S/C14H15NO2/c1-10-12(9-16)17-14(15(2)3)13(10)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyASIIAJQMCGGUSB-UHFFFAOYSA-N
XLogP3.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde?
The IUPAC name of 5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde (CID 122219571) is 5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde.
What is the SMILES notation for 5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde?
The canonical SMILES for 5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde is Cc1c(C=O)oc(N(C)C)c1-c1ccccc1.
What is the InChIKey of 5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde?
The InChIKey is ASIIAJQMCGGUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-12(9-16)17-14(15(2)3)13(10)11-7-5-4-6-8-11/h4-9H,1-3H3.
What are the key properties of 5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde?
5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3-methyl-4-phenylfuran-2-carbaldehyde is sourced from PubChem (CID 122219571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).