1H-cyclopenta[e][2]benzofuran-6-carbaldehyde

C12H8O2 — CID 87087782

IUPAC1H-cyclopenta[e][2]benzofuran-6-carbaldehyde
SMILESO=CC1=c2ccc3c(c2C=C1)COC=3
InChIInChI=1S/C12H8O2/c13-5-8-1-4-11-10(8)3-2-9-6-14-7-12(9)11/h1-6H,7H2
InChIKeyXYYRJJLFCFEIKR-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.33
Rot. Bonds1

About 1H-cyclopenta[e][2]benzofuran-6-carbaldehyde

1H-cyclopenta[e][2]benzofuran-6-carbaldehyde (PubChem CID 87087782) has the molecular formula C12H8O2 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1H-cyclopenta[e][2]benzofuran-6-carbaldehyde.

Molecular Properties

Compound Name1H-cyclopenta[e][2]benzofuran-6-carbaldehyde
PubChem CID87087782
Molecular FormulaC12H8O2
Molecular Weight184.19 g/mol
Exact Mass184.05
IUPAC Name1H-cyclopenta[e][2]benzofuran-6-carbaldehyde
SMILESO=CC1=c2ccc3c(c2C=C1)COC=3
InChIInChI=1S/C12H8O2/c13-5-8-1-4-11-10(8)3-2-9-6-14-7-12(9)11/h1-6H,7H2
InChIKeyXYYRJJLFCFEIKR-UHFFFAOYSA-N
XLogP0.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-cyclopenta[e][2]benzofuran-6-carbaldehyde?
The IUPAC name of 1H-cyclopenta[e][2]benzofuran-6-carbaldehyde (CID 87087782) is 1H-cyclopenta[e][2]benzofuran-6-carbaldehyde.
What is the SMILES notation for 1H-cyclopenta[e][2]benzofuran-6-carbaldehyde?
The canonical SMILES for 1H-cyclopenta[e][2]benzofuran-6-carbaldehyde is O=CC1=c2ccc3c(c2C=C1)COC=3.
What is the InChIKey of 1H-cyclopenta[e][2]benzofuran-6-carbaldehyde?
The InChIKey is XYYRJJLFCFEIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2/c13-5-8-1-4-11-10(8)3-2-9-6-14-7-12(9)11/h1-6H,7H2.
What are the key properties of 1H-cyclopenta[e][2]benzofuran-6-carbaldehyde?
1H-cyclopenta[e][2]benzofuran-6-carbaldehyde has a molecular weight of 184.19 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclopenta[e][2]benzofuran-6-carbaldehyde is sourced from PubChem (CID 87087782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).