2-(1,4-dimethylindol-2-yl)acetaldehyde

C12H13NO — CID 117194342

IUPAC2-(1,4-dimethylindol-2-yl)acetaldehyde
SMILESCc1cccc2c1cc(CC=O)n2C
InChIInChI=1S/C12H13NO/c1-9-4-3-5-12-11(9)8-10(6-7-14)13(12)2/h3-5,7-8H,6H2,1-2H3
InChIKeyHUCXIHVGCFEKGZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.23
Rot. Bonds2

About 2-(1,4-dimethylindol-2-yl)acetaldehyde

2-(1,4-dimethylindol-2-yl)acetaldehyde (PubChem CID 117194342) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(1,4-dimethylindol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,4-dimethylindol-2-yl)acetaldehyde
PubChem CID117194342
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(1,4-dimethylindol-2-yl)acetaldehyde
SMILESCc1cccc2c1cc(CC=O)n2C
InChIInChI=1S/C12H13NO/c1-9-4-3-5-12-11(9)8-10(6-7-14)13(12)2/h3-5,7-8H,6H2,1-2H3
InChIKeyHUCXIHVGCFEKGZ-UHFFFAOYSA-N
XLogP2.23
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.23
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

2-(4-fluoro-1-methylindol-2-yl)acetaldehyde
CID 117194443
2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194359
(1,4-dimethylindol-2-yl)methanol
CID 117120333
ethane;1,2,4-trimethylindole
CID 91318944
1-[2-(1,4-dimethylindol-2-yl)ethyl]cyclopropan-1-amine
CID 105486000
2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole
CID 117184865
2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde
CID 117194333
2-tert-butyl-1,4-dimethylindole
CID 121356408
1,5-dimethylquinolin-2-one
CID 19387899
2-(1,4-dimethylindol-3-yl)acetaldehyde
CID 117194756
2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194499
1,4-dimethyl-2-propan-2-ylindole;oxalic acid
CID 19389733

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylindol-2-yl)acetaldehyde?
The IUPAC name of 2-(1,4-dimethylindol-2-yl)acetaldehyde (CID 117194342) is 2-(1,4-dimethylindol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1,4-dimethylindol-2-yl)acetaldehyde?
The canonical SMILES for 2-(1,4-dimethylindol-2-yl)acetaldehyde is Cc1cccc2c1cc(CC=O)n2C.
What is the InChIKey of 2-(1,4-dimethylindol-2-yl)acetaldehyde?
The InChIKey is HUCXIHVGCFEKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-4-3-5-12-11(9)8-10(6-7-14)13(12)2/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-(1,4-dimethylindol-2-yl)acetaldehyde?
2-(1,4-dimethylindol-2-yl)acetaldehyde has a molecular weight of 187.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylindol-2-yl)acetaldehyde is sourced from PubChem (CID 117194342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).