5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde

C16H17NO2 — CID 169335380

IUPAC5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde
SMILESCN1CC(C)(C)c2cc(-c3ccc(C=O)o3)ccc21
InChIInChI=1S/C16H17NO2/c1-16(2)10-17(3)14-6-4-11(8-13(14)16)15-7-5-12(9-18)19-15/h4-9H,10H2,1-3H3
InChIKeyMAHYQFRUTULFRN-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.49
Rot. Bonds2

About 5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde

5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde (PubChem CID 169335380) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde
PubChem CID169335380
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde
SMILESCN1CC(C)(C)c2cc(-c3ccc(C=O)o3)ccc21
InChIInChI=1S/C16H17NO2/c1-16(2)10-17(3)14-6-4-11(8-13(14)16)15-7-5-12(9-18)19-15/h4-9H,10H2,1-3H3
InChIKeyMAHYQFRUTULFRN-UHFFFAOYSA-N
XLogP3.49
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-(5-formylfuran-2-yl)-3,3-dimethyl-2H-indole-1-carboxylate
CID 169332941
5-fluoro-1,3,3-trimethyl-2H-indole
CID 58386422
5-[4-(1-methylpyrazol-4-yl)phenyl]furan-2-carbaldehyde
CID 169332573
5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde
CID 169335246
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde
CID 169332554
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde
CID 169333699
5-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169334739
5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde
CID 145228205
5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde
CID 675050

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde (CID 169335380) is 5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde is CN1CC(C)(C)c2cc(-c3ccc(C=O)o3)ccc21.
What is the InChIKey of 5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde?
The InChIKey is MAHYQFRUTULFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-16(2)10-17(3)14-6-4-11(8-13(14)16)15-7-5-12(9-18)19-15/h4-9H,10H2,1-3H3.
What are the key properties of 5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde?
5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde has a molecular weight of 255.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde is sourced from PubChem (CID 169335380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).