2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid

C15H14N2O4 — CID 22104492

IUPAC2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid
SMILESO=CC1CCCN1C(=O)c1cc2ccccc2n1C(=O)O
InChIInChI=1S/C15H14N2O4/c18-9-11-5-3-7-16(11)14(19)13-8-10-4-1-2-6-12(10)17(13)15(20)21/h1-2,4,6,8-9,11H,3,5,7H2,(H,20,21)
InChIKeyLYDAZYPKRNJQMH-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.97
Rot. Bonds2

About 2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid

2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid (PubChem CID 22104492) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid
PubChem CID22104492
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid
SMILESO=CC1CCCN1C(=O)c1cc2ccccc2n1C(=O)O
InChIInChI=1S/C15H14N2O4/c18-9-11-5-3-7-16(11)14(19)13-8-10-4-1-2-6-12(10)17(13)15(20)21/h1-2,4,6,8-9,11H,3,5,7H2,(H,20,21)
InChIKeyLYDAZYPKRNJQMH-UHFFFAOYSA-N
XLogP1.97
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]indole-1-carboxylic acid
CID 22104464
1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide
CID 56726565
3-(2-formylpyrrolidine-1-carbonyl)benzonitrile
CID 146357937
2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide
CID 95786373
1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 163260869
1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde
CID 146357901
1-(3,4-dimethoxybenzoyl)pyrrolidine-2-carbaldehyde
CID 74552344
3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid
CID 129414879
1-(2-methylsulfanylacetyl)pyrrolidine-2-carbaldehyde
CID 14192042
(2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde
CID 15712748
N-methyl-2-phenylsulfanylaniline;1-(naphthalene-1-carbonyl)pyrrolidine-2-carbaldehyde
CID 169183032
formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
CID 155873054

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid?
The IUPAC name of 2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid (CID 22104492) is 2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid.
What is the SMILES notation for 2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid?
The canonical SMILES for 2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid is O=CC1CCCN1C(=O)c1cc2ccccc2n1C(=O)O.
What is the InChIKey of 2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid?
The InChIKey is LYDAZYPKRNJQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-9-11-5-3-7-16(11)14(19)13-8-10-4-1-2-6-12(10)17(13)15(20)21/h1-2,4,6,8-9,11H,3,5,7H2,(H,20,21).
What are the key properties of 2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid?
2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid is sourced from PubChem (CID 22104492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).