5-amino-1,4-dimethylindole-2-carbaldehyde

C11H12N2O — CID 89147541

IUPAC5-amino-1,4-dimethylindole-2-carbaldehyde
SMILESCc1c(N)ccc2c1cc(C=O)n2C
InChIInChI=1S/C11H12N2O/c1-7-9-5-8(6-14)13(2)11(9)4-3-10(7)12/h3-6H,12H2,1-2H3
InChIKeyMFGHVPFSRKYIJG-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.88
Rot. Bonds1

About 5-amino-1,4-dimethylindole-2-carbaldehyde

5-amino-1,4-dimethylindole-2-carbaldehyde (PubChem CID 89147541) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-amino-1,4-dimethylindole-2-carbaldehyde.

Molecular Properties

Compound Name5-amino-1,4-dimethylindole-2-carbaldehyde
PubChem CID89147541
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name5-amino-1,4-dimethylindole-2-carbaldehyde
SMILESCc1c(N)ccc2c1cc(C=O)n2C
InChIInChI=1S/C11H12N2O/c1-7-9-5-8(6-14)13(2)11(9)4-3-10(7)12/h3-6H,12H2,1-2H3
InChIKeyMFGHVPFSRKYIJG-UHFFFAOYSA-N
XLogP1.88
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-formyl-1-methylindole-4-carboxylic acid
CID 82396967
5-amino-4-methyl-1-benzothiophene-2-carbaldehyde
CID 130956428
5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 84665767
4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde
CID 155385012
3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one
CID 84623498
1,3-dimethyl-5-phenoxyindole-2-carbaldehyde
CID 82501585
1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 82415580
1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 105485170
5-(diethylamino)-1-methylindole-2-carbaldehyde
CID 105488256
5-iodo-1,2-dimethylindole-3-carbaldehyde
CID 97035776
7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
CID 115007765
1,2,3,5-tetramethylindol-6-amine
CID 15758362

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,4-dimethylindole-2-carbaldehyde?
The IUPAC name of 5-amino-1,4-dimethylindole-2-carbaldehyde (CID 89147541) is 5-amino-1,4-dimethylindole-2-carbaldehyde.
What is the SMILES notation for 5-amino-1,4-dimethylindole-2-carbaldehyde?
The canonical SMILES for 5-amino-1,4-dimethylindole-2-carbaldehyde is Cc1c(N)ccc2c1cc(C=O)n2C.
What is the InChIKey of 5-amino-1,4-dimethylindole-2-carbaldehyde?
The InChIKey is MFGHVPFSRKYIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-9-5-8(6-14)13(2)11(9)4-3-10(7)12/h3-6H,12H2,1-2H3.
What are the key properties of 5-amino-1,4-dimethylindole-2-carbaldehyde?
5-amino-1,4-dimethylindole-2-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,4-dimethylindole-2-carbaldehyde is sourced from PubChem (CID 89147541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).