2-(3-formylindol-3-yl)acetic acid

C11H9NO3 — CID 135207400

IUPAC2-(3-formylindol-3-yl)acetic acid
SMILESO=CC1(CC(=O)O)C=Nc2ccccc21
InChIInChI=1S/C11H9NO3/c13-7-11(5-10(14)15)6-12-9-4-2-1-3-8(9)11/h1-4,6-7H,5H2,(H,14,15)
InChIKeyJQRDMRPMLDROFI-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.31
Rot. Bonds3

About 2-(3-formylindol-3-yl)acetic acid

2-(3-formylindol-3-yl)acetic acid (PubChem CID 135207400) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(3-formylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-formylindol-3-yl)acetic acid
PubChem CID135207400
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(3-formylindol-3-yl)acetic acid
SMILESO=CC1(CC(=O)O)C=Nc2ccccc21
InChIInChI=1S/C11H9NO3/c13-7-11(5-10(14)15)6-12-9-4-2-1-3-8(9)11/h1-4,6-7H,5H2,(H,14,15)
InChIKeyJQRDMRPMLDROFI-UHFFFAOYSA-N
XLogP1.31
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenylindole-3-carbaldehyde
CID 175244299
4-(3-methylindol-3-yl)butanoic acid
CID 176812630
(2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid
CID 70566881
3-bromoindol-3-ol
CID 68520694
(3-methylindol-3-yl) formate
CID 164787795
3-[3-(dimethylamino)propylsulfanyl]indole-3-carbaldehyde
CID 154367899
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
(3R)-3-hydroxy-3-[(E)-2-hydroxy-4-oxopent-2-enyl]-1H-indol-2-one
CID 177471424
5-(3-hydroxyindol-3-yl)quinoline-2-carbaldehyde
CID 174680040
2-[2-(carboxymethyl)-1-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaenyl]acetic acid
CID 10576392
3-iodo-3-phenylindole
CID 175211436
3,3-difluoroindole;hydrochloride
CID 172824632

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylindol-3-yl)acetic acid?
The IUPAC name of 2-(3-formylindol-3-yl)acetic acid (CID 135207400) is 2-(3-formylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(3-formylindol-3-yl)acetic acid?
The canonical SMILES for 2-(3-formylindol-3-yl)acetic acid is O=CC1(CC(=O)O)C=Nc2ccccc21.
What is the InChIKey of 2-(3-formylindol-3-yl)acetic acid?
The InChIKey is JQRDMRPMLDROFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-7-11(5-10(14)15)6-12-9-4-2-1-3-8(9)11/h1-4,6-7H,5H2,(H,14,15).
What are the key properties of 2-(3-formylindol-3-yl)acetic acid?
2-(3-formylindol-3-yl)acetic acid has a molecular weight of 203.20 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylindol-3-yl)acetic acid is sourced from PubChem (CID 135207400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).