1,2-dimethylindole-3-carbaldehyde

C11H11NO — CID 599084

IUPAC1,2-dimethylindole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1C
InChIInChI=1S/C11H11NO/c1-8-10(7-13)9-5-3-4-6-11(9)12(8)2/h3-7H,1-2H3
InChIKeyHYGUWHAXRMPCCP-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.30
Rot. Bonds1

About 1,2-dimethylindole-3-carbaldehyde

1,2-dimethylindole-3-carbaldehyde (PubChem CID 599084) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1,2-dimethylindole-3-carbaldehyde.

Molecular Properties

Compound Name1,2-dimethylindole-3-carbaldehyde
PubChem CID599084
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1,2-dimethylindole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1C
InChIInChI=1S/C11H11NO/c1-8-10(7-13)9-5-3-4-6-11(9)12(8)2/h3-7H,1-2H3
InChIKeyHYGUWHAXRMPCCP-UHFFFAOYSA-N
XLogP2.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.30
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 1,2-dimethylindole-3-carbaldehyde?
The IUPAC name of 1,2-dimethylindole-3-carbaldehyde (CID 599084) is 1,2-dimethylindole-3-carbaldehyde.
What is the SMILES notation for 1,2-dimethylindole-3-carbaldehyde?
The canonical SMILES for 1,2-dimethylindole-3-carbaldehyde is Cc1c(C=O)c2ccccc2n1C.
What is the InChIKey of 1,2-dimethylindole-3-carbaldehyde?
The InChIKey is HYGUWHAXRMPCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-10(7-13)9-5-3-4-6-11(9)12(8)2/h3-7H,1-2H3.
What are the key properties of 1,2-dimethylindole-3-carbaldehyde?
1,2-dimethylindole-3-carbaldehyde has a molecular weight of 173.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylindole-3-carbaldehyde is sourced from PubChem (CID 599084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).