2-(1H-indol-2-yl)propanal

C11H11NO — CID 88965178

IUPAC2-(1H-indol-2-yl)propanal
SMILESCC(C=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H11NO/c1-8(7-13)11-6-9-4-2-3-5-10(9)12-11/h2-8,12H,1H3
InChIKeyLCSJPEXSKASGCF-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.47
Rot. Bonds2

About 2-(1H-indol-2-yl)propanal

2-(1H-indol-2-yl)propanal (PubChem CID 88965178) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)propanal.

Molecular Properties

Compound Name2-(1H-indol-2-yl)propanal
PubChem CID88965178
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name2-(1H-indol-2-yl)propanal
SMILESCC(C=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H11NO/c1-8(7-13)11-6-9-4-2-3-5-10(9)12-11/h2-8,12H,1H3
InChIKeyLCSJPEXSKASGCF-UHFFFAOYSA-N
XLogP2.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylsulfonylethyl)-1H-indole
CID 173051925
1-(1H-indol-2-yl)-2-methylpropan-1-ol
CID 91442586
2-(1H-indol-2-yl)-3-methylbutanenitrile
CID 15013805
(3S)-3-(1H-indol-2-yl)butanoic acid
CID 96762182
2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole
CID 132599095
2-(1H-indol-2-yl)-3-methylpentanoic acid
CID 146350341
(3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one
CID 102472553
2-(1H-indol-2-yl)propane-1,3-diamine
CID 46184304
2-chloro-2-(1H-indol-2-yl)acetamide
CID 173051897
2-hydroxy-2-(1H-indol-2-yl)acetate
CID 19833059
tert-butyl formate;1-(1H-indol-2-yl)ethane-1,2-diol
CID 174746412
ethyl (3S)-3-(1H-indol-2-yl)butanoate
CID 98010811

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)propanal?
The IUPAC name of 2-(1H-indol-2-yl)propanal (CID 88965178) is 2-(1H-indol-2-yl)propanal.
What is the SMILES notation for 2-(1H-indol-2-yl)propanal?
The canonical SMILES for 2-(1H-indol-2-yl)propanal is CC(C=O)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-indol-2-yl)propanal?
The InChIKey is LCSJPEXSKASGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8(7-13)11-6-9-4-2-3-5-10(9)12-11/h2-8,12H,1H3.
What are the key properties of 2-(1H-indol-2-yl)propanal?
2-(1H-indol-2-yl)propanal has a molecular weight of 173.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)propanal is sourced from PubChem (CID 88965178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).