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

C12H15NO — CID 130948019

IUPAC2-(2,3-dihydroindol-1-yl)-2-methylpropanal
SMILESCC(C)(C=O)N1CCc2ccccc21
InChIInChI=1S/C12H15NO/c1-12(2,9-14)13-8-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3
InChIKeyZBRCRCLZUNCWDN-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.03
Rot. Bonds2

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

2-(2,3-dihydroindol-1-yl)-2-methylpropanal (PubChem CID 130948019) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-2-methylpropanal
PubChem CID130948019
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-(2,3-dihydroindol-1-yl)-2-methylpropanal
SMILESCC(C)(C=O)N1CCc2ccccc21
InChIInChI=1S/C12H15NO/c1-12(2,9-14)13-8-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3
InChIKeyZBRCRCLZUNCWDN-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.03
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-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal
CID 118292696
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal
CID 62277118
1-[4-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]-2,3-dihydroindole
CID 171110131
1,2-dimethyl-3,4-dihydrocinnoline
CID 54095235
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal
CID 55050873
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal
CID 62277904
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine
CID 63178838
2-tert-butyl-3,4-dihydroisoquinolin-1-one
CID 23591920
1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole
CID 141240555

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-methylpropanal?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-methylpropanal (CID 130948019) is 2-(2,3-dihydroindol-1-yl)-2-methylpropanal.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-2-methylpropanal?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-2-methylpropanal is CC(C)(C=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-2-methylpropanal?
The InChIKey is ZBRCRCLZUNCWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2,9-14)13-8-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-2-methylpropanal?
2-(2,3-dihydroindol-1-yl)-2-methylpropanal has a molecular weight of 189.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-2-methylpropanal is sourced from PubChem (CID 130948019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).