2,3-dimethylindole-3-carbaldehyde

C11H11NO — CID 174957699

IUPAC2,3-dimethylindole-3-carbaldehyde
SMILESCC1=Nc2ccccc2C1(C)C=O
InChIInChI=1S/C11H11NO/c1-8-11(2,7-13)9-5-3-4-6-10(9)12-8/h3-7H,1-2H3
InChIKeyXEFITHPJXYPCQA-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.25
Rot. Bonds1

About 2,3-dimethylindole-3-carbaldehyde

2,3-dimethylindole-3-carbaldehyde (PubChem CID 174957699) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 2,3-dimethylindole-3-carbaldehyde.

Molecular Properties

Compound Name2,3-dimethylindole-3-carbaldehyde
PubChem CID174957699
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name2,3-dimethylindole-3-carbaldehyde
SMILESCC1=Nc2ccccc2C1(C)C=O
InChIInChI=1S/C11H11NO/c1-8-11(2,7-13)9-5-3-4-6-10(9)12-8/h3-7H,1-2H3
InChIKeyXEFITHPJXYPCQA-UHFFFAOYSA-N
XLogP2.25
TPSA29.43 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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3,3-trimethylindole);dihydrobromide
CID 175169971
1,9-dimethylfluorene-9-carbaldehyde
CID 173198715
2-(2,3-dimethylindol-3-yl)ethylphosphonic acid
CID 58084036
(E)-2-(3,3-dimethylindol-2-yl)-3-hydroxyprop-2-enal
CID 139068970
4-(2,3-dimethylindol-3-yl)butanoic acid
CID 59360624
1-(3,3-dimethylindol-2-yl)ethanone
CID 2752622
N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide
CID 122400482
3-(4-hydroxysulfanylbutyl)-2,3-dimethylindole
CID 145279729
(3-methylindol-3-yl) formate
CID 164787795
3-(3,3-dimethylindol-2-yl)propanoic acid
CID 142727423
CID 132570649
CID 132570649
6a,12a-dimethyl-6H-indolo[3,2-b]carbazol-12-one
CID 100947542

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylindole-3-carbaldehyde?
The IUPAC name of 2,3-dimethylindole-3-carbaldehyde (CID 174957699) is 2,3-dimethylindole-3-carbaldehyde.
What is the SMILES notation for 2,3-dimethylindole-3-carbaldehyde?
The canonical SMILES for 2,3-dimethylindole-3-carbaldehyde is CC1=Nc2ccccc2C1(C)C=O.
What is the InChIKey of 2,3-dimethylindole-3-carbaldehyde?
The InChIKey is XEFITHPJXYPCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-11(2,7-13)9-5-3-4-6-10(9)12-8/h3-7H,1-2H3.
What are the key properties of 2,3-dimethylindole-3-carbaldehyde?
2,3-dimethylindole-3-carbaldehyde has a molecular weight of 173.21 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylindole-3-carbaldehyde is sourced from PubChem (CID 174957699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).