1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid

C16H22N2O2 — CID 80566268

IUPAC1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(CCCN2CCCC2)c2ccccc21
InChIInChI=1S/C16H22N2O2/c19-16(20)14-12-18(15-7-2-1-6-13(14)15)11-5-10-17-8-3-4-9-17/h1-2,6-7,14H,3-5,8-12H2,(H,19,20)
InChIKeyJTFMZPNYZQHHPS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.16
Rot. Bonds5

About 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid

1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80566268) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80566268
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(CCCN2CCCC2)c2ccccc21
InChIInChI=1S/C16H22N2O2/c19-16(20)14-12-18(15-7-2-1-6-13(14)15)11-5-10-17-8-3-4-9-17/h1-2,6-7,14H,3-5,8-12H2,(H,19,20)
InChIKeyJTFMZPNYZQHHPS-UHFFFAOYSA-N
XLogP2.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanobutyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565678
1-(3-methylsulfonylpropyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565784
1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565757
1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565332
1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565297
1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338475
1-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydroindole-3-carboxylic acid
CID 116616831
1-[(E)-3-phenylprop-2-enyl]-2,3-dihydroindole-3-carboxylic acid
CID 80563415
1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565760
1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565141
1-[(4-iodophenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565810
1-[(4-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565498

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid (CID 80566268) is 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(CCCN2CCCC2)c2ccccc21.
What is the InChIKey of 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is JTFMZPNYZQHHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(20)14-12-18(15-7-2-1-6-13(14)15)11-5-10-17-8-3-4-9-17/h1-2,6-7,14H,3-5,8-12H2,(H,19,20).
What are the key properties of 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid?
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80566268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).