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

C13H11NO3 — CID 115007766

IUPAC7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
SMILESCOc1ccc2oc3c(cc(C=O)n3C)c2c1
InChIInChI=1S/C13H11NO3/c1-14-8(7-15)5-11-10-6-9(16-2)3-4-12(10)17-13(11)14/h3-7H,1-2H3
InChIKeyFGHZEZLRXPKPLU-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.75
Rot. Bonds2

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

7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde (PubChem CID 115007766) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
PubChem CID115007766
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
SMILESCOc1ccc2oc3c(cc(C=O)n3C)c2c1
InChIInChI=1S/C13H11NO3/c1-14-8(7-15)5-11-10-6-9(16-2)3-4-12(10)17-13(11)14/h3-7H,1-2H3
InChIKeyFGHZEZLRXPKPLU-UHFFFAOYSA-N
XLogP2.75
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
CID 115007765
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
CID 166633270
5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde
CID 57019452
5-methoxy-1-benzofuran-3-carbaldehyde
CID 25131833
2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde
CID 36995432
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one
CID 67965470
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
4-(2-bromoethyl)-6-methoxychromen-2-one
CID 174375390
2-methoxy-7-methyldibenzofuran
CID 122387372
3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde
CID 135980369
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde?
The IUPAC name of 7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde (CID 115007766) is 7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde.
What is the SMILES notation for 7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde?
The canonical SMILES for 7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde is COc1ccc2oc3c(cc(C=O)n3C)c2c1.
What is the InChIKey of 7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde?
The InChIKey is FGHZEZLRXPKPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-14-8(7-15)5-11-10-6-9(16-2)3-4-12(10)17-13(11)14/h3-7H,1-2H3.
What are the key properties of 7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde?
7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde has a molecular weight of 229.23 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde is sourced from PubChem (CID 115007766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).