1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde

C18H15NO2 — CID 102910583

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2CC2COc3ccccc32)c1
InChIInChI=1S/C18H15NO2/c20-11-13-5-6-17-14(9-13)7-8-19(17)10-15-12-21-18-4-2-1-3-16(15)18/h1-9,11,15H,10,12H2
InChIKeyRRGNNJFWTMNBMN-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.63
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde (PubChem CID 102910583) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde
PubChem CID102910583
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2CC2COc3ccccc32)c1
InChIInChI=1S/C18H15NO2/c20-11-13-5-6-17-14(9-13)7-8-19(17)10-15-12-21-18-4-2-1-3-16(15)18/h1-9,11,15H,10,12H2
InChIKeyRRGNNJFWTMNBMN-UHFFFAOYSA-N
XLogP3.63
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.63
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 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde (CID 102910583) is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde is O=Cc1ccc2c(ccn2CC2COc3ccccc32)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde?
The InChIKey is RRGNNJFWTMNBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-11-13-5-6-17-14(9-13)7-8-19(17)10-15-12-21-18-4-2-1-3-16(15)18/h1-9,11,15H,10,12H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde?
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde has a molecular weight of 277.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde is sourced from PubChem (CID 102910583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).