5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde

C16H13NO4 — CID 675050

IUPAC5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde
SMILESCC(C)N1C(=O)c2ccc(-c3ccc(C=O)o3)cc2C1=O
InChIInChI=1S/C16H13NO4/c1-9(2)17-15(19)12-5-3-10(7-13(12)16(17)20)14-6-4-11(8-18)21-14/h3-9H,1-2H3
InChIKeyRIAMRGMDCNSMLJ-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.76
Rot. Bonds3

About 5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde

5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde (PubChem CID 675050) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde
PubChem CID675050
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde
SMILESCC(C)N1C(=O)c2ccc(-c3ccc(C=O)o3)cc2C1=O
InChIInChI=1S/C16H13NO4/c1-9(2)17-15(19)12-5-3-10(7-13(12)16(17)20)14-6-4-11(8-18)21-14/h3-9H,1-2H3
InChIKeyRIAMRGMDCNSMLJ-UHFFFAOYSA-N
XLogP2.76
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde
CID 169335246
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde
CID 169332554
5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde
CID 169333699
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
5-(1,1,3-trioxo-1,2-benzothiazol-6-yl)furan-2-carbaldehyde
CID 169335383
5-(5-formylfuran-3-yl)furan-2-carbaldehyde
CID 175213129
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
CID 169334432
5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde
CID 169335380
5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide
CID 169335264
5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde
CID 169333111

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde (CID 675050) is 5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde is CC(C)N1C(=O)c2ccc(-c3ccc(C=O)o3)cc2C1=O.
What is the InChIKey of 5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde?
The InChIKey is RIAMRGMDCNSMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-9(2)17-15(19)12-5-3-10(7-13(12)16(17)20)14-6-4-11(8-18)21-14/h3-9H,1-2H3.
What are the key properties of 5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde?
5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde has a molecular weight of 283.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde is sourced from PubChem (CID 675050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).