3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal

C13H17NO — CID 62277118

IUPAC3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN1CCc2ccccc21
InChIInChI=1S/C13H17NO/c1-13(2,10-15)9-14-8-7-11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3
InChIKeyARDBPGDCOFXVSL-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.27
Rot. Bonds3

About 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal

3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal (PubChem CID 62277118) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal
PubChem CID62277118
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN1CCc2ccccc21
InChIInChI=1S/C13H17NO/c1-13(2,10-15)9-14-8-7-11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3
InChIKeyARDBPGDCOFXVSL-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.27
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

1-(2,2-dimethylbutyl)-2,3-dihydroindole
CID 167187652
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal
CID 55050873
3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal
CID 62277904
1-(2,3-dihydroindol-1-yl)-N-ethyl-2-methylpropan-2-amine
CID 62834088
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide
CID 82116491
2-(2,3-dihydroindol-1-yl)-2-methylpropanal
CID 130948019
2-(2,3-dihydroindol-1-ylmethyl)-N,2-dimethylbutan-1-amine
CID 62262026
1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 16790029
1-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpropan-2-amine
CID 62846942
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate
CID 79624325

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal (CID 62277118) is 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal is CC(C)(C=O)CN1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal?
The InChIKey is ARDBPGDCOFXVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,10-15)9-14-8-7-11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal?
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal has a molecular weight of 203.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal is sourced from PubChem (CID 62277118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).