7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde

C12H9NO3 — CID 115007765

IUPAC7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
SMILESCn1c(C=O)cc2c3cc(O)ccc3oc21
InChIInChI=1S/C12H9NO3/c1-13-7(6-14)4-10-9-5-8(15)2-3-11(9)16-12(10)13/h2-6,15H,1H3
InChIKeyQBFGVUWKEJYULO-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.44
Rot. Bonds1

About 7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde

7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde (PubChem CID 115007765) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
PubChem CID115007765
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
SMILESCn1c(C=O)cc2c3cc(O)ccc3oc21
InChIInChI=1S/C12H9NO3/c1-13-7(6-14)4-10-9-5-8(15)2-3-11(9)16-12(10)13/h2-6,15H,1H3
InChIKeyQBFGVUWKEJYULO-UHFFFAOYSA-N
XLogP2.44
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde?
The IUPAC name of 7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde (CID 115007765) is 7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde.
What is the SMILES notation for 7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde?
The canonical SMILES for 7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde is Cn1c(C=O)cc2c3cc(O)ccc3oc21.
What is the InChIKey of 7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde?
The InChIKey is QBFGVUWKEJYULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c1-13-7(6-14)4-10-9-5-8(15)2-3-11(9)16-12(10)13/h2-6,15H,1H3.
What are the key properties of 7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde?
7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde has a molecular weight of 215.21 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde is sourced from PubChem (CID 115007765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).