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

C16H17NO2 — CID 62233193

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1CC1Cc2ccccc2O1
InChIInChI=1S/C16H17NO2/c1-11-7-14(10-18)12(2)17(11)9-15-8-13-5-3-4-6-16(13)19-15/h3-7,10,15H,8-9H2,1-2H3
InChIKeyIZNYKFIBWXGIOQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.92
Rot. Bonds3

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

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde (PubChem CID 62233193) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde
PubChem CID62233193
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1CC1Cc2ccccc2O1
InChIInChI=1S/C16H17NO2/c1-11-7-14(10-18)12(2)17(11)9-15-8-13-5-3-4-6-16(13)19-15/h3-7,10,15H,8-9H2,1-2H3
InChIKeyIZNYKFIBWXGIOQ-UHFFFAOYSA-N
XLogP2.92
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.92
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-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde (CID 62233193) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde is Cc1cc(C=O)c(C)n1CC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The InChIKey is IZNYKFIBWXGIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-7-14(10-18)12(2)17(11)9-15-8-13-5-3-4-6-16(13)19-15/h3-7,10,15H,8-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde has a molecular weight of 255.32 g/mol, XLogP of 2.92, 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-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde is sourced from PubChem (CID 62233193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).