methyl 3-formyl-1H-indole-7-carboxylate

C11H9NO3 — CID 762965

IUPACmethyl 3-formyl-1H-indole-7-carboxylate
SMILESCOC(=O)c1cccc2c(C=O)c[nH]c12
InChIInChI=1S/C11H9NO3/c1-15-11(14)9-4-2-3-8-7(6-13)5-12-10(8)9/h2-6,12H,1H3
InChIKeyJVUPHJBFLSMOGY-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.77
Rot. Bonds2

About methyl 3-formyl-1H-indole-7-carboxylate

methyl 3-formyl-1H-indole-7-carboxylate (PubChem CID 762965) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl 3-formyl-1H-indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-formyl-1H-indole-7-carboxylate
PubChem CID762965
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Namemethyl 3-formyl-1H-indole-7-carboxylate
SMILESCOC(=O)c1cccc2c(C=O)c[nH]c12
InChIInChI=1S/C11H9NO3/c1-15-11(14)9-4-2-3-8-7(6-13)5-12-10(8)9/h2-6,12H,1H3
InChIKeyJVUPHJBFLSMOGY-UHFFFAOYSA-N
XLogP1.77
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
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 methyl 3-formyl-1H-indole-7-carboxylate?
The IUPAC name of methyl 3-formyl-1H-indole-7-carboxylate (CID 762965) is methyl 3-formyl-1H-indole-7-carboxylate.
What is the SMILES notation for methyl 3-formyl-1H-indole-7-carboxylate?
The canonical SMILES for methyl 3-formyl-1H-indole-7-carboxylate is COC(=O)c1cccc2c(C=O)c[nH]c12.
What is the InChIKey of methyl 3-formyl-1H-indole-7-carboxylate?
The InChIKey is JVUPHJBFLSMOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-11(14)9-4-2-3-8-7(6-13)5-12-10(8)9/h2-6,12H,1H3.
What are the key properties of methyl 3-formyl-1H-indole-7-carboxylate?
methyl 3-formyl-1H-indole-7-carboxylate has a molecular weight of 203.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formyl-1H-indole-7-carboxylate is sourced from PubChem (CID 762965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).