1-methylindole-3,7-dicarbaldehyde

C11H9NO2 — CID 59731130

IUPAC1-methylindole-3,7-dicarbaldehyde
SMILESCn1cc(C=O)c2cccc(C=O)c21
InChIInChI=1S/C11H9NO2/c1-12-5-9(7-14)10-4-2-3-8(6-13)11(10)12/h2-7H,1H3
InChIKeyLUCXRHSMHSNTAN-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.80
Rot. Bonds2

About 1-methylindole-3,7-dicarbaldehyde

1-methylindole-3,7-dicarbaldehyde (PubChem CID 59731130) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-methylindole-3,7-dicarbaldehyde.

Molecular Properties

Compound Name1-methylindole-3,7-dicarbaldehyde
PubChem CID59731130
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name1-methylindole-3,7-dicarbaldehyde
SMILESCn1cc(C=O)c2cccc(C=O)c21
InChIInChI=1S/C11H9NO2/c1-12-5-9(7-14)10-4-2-3-8(6-13)11(10)12/h2-7H,1H3
InChIKeyLUCXRHSMHSNTAN-UHFFFAOYSA-N
XLogP1.80
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.80
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-methylindole-3,7-dicarbaldehyde?
The IUPAC name of 1-methylindole-3,7-dicarbaldehyde (CID 59731130) is 1-methylindole-3,7-dicarbaldehyde.
What is the SMILES notation for 1-methylindole-3,7-dicarbaldehyde?
The canonical SMILES for 1-methylindole-3,7-dicarbaldehyde is Cn1cc(C=O)c2cccc(C=O)c21.
What is the InChIKey of 1-methylindole-3,7-dicarbaldehyde?
The InChIKey is LUCXRHSMHSNTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-12-5-9(7-14)10-4-2-3-8(6-13)11(10)12/h2-7H,1H3.
What are the key properties of 1-methylindole-3,7-dicarbaldehyde?
1-methylindole-3,7-dicarbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindole-3,7-dicarbaldehyde is sourced from PubChem (CID 59731130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).