1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C14H16N2O3 — CID 80565141

IUPAC1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C14H16N2O3/c17-13(18)11-9-16(12-6-2-1-5-10(11)12)14(19)15-7-3-4-8-15/h1-2,5-6,11H,3-4,7-9H2,(H,17,18)
InChIKeyNMPUMZHQGAFYHA-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.89
Rot. Bonds1

About 1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80565141) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80565141
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C14H16N2O3/c17-13(18)11-9-16(12-6-2-1-5-10(11)12)14(19)15-7-3-4-8-15/h1-2,5-6,11H,3-4,7-9H2,(H,17,18)
InChIKeyNMPUMZHQGAFYHA-UHFFFAOYSA-N
XLogP1.89
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564871
1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564509
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564111
1-(piperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565075
1-(2-aminopropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564978
1-(2-bromobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564888
1-but-2-ynoyl-2,3-dihydroindole-3-carboxylic acid
CID 107986860
(3S)-1-(3-methylbut-2-enoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124575403
(3R)-1-[(3R)-2,3-dihydro-1-benzothiophene-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 124609729
1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565113
1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564569

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 80565141) is 1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(C(=O)N2CCCC2)c2ccccc21.
What is the InChIKey of 1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is NMPUMZHQGAFYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(18)11-9-16(12-6-2-1-5-10(11)12)14(19)15-7-3-4-8-15/h1-2,5-6,11H,3-4,7-9H2,(H,17,18).
What are the key properties of 1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80565141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).