1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid

C17H22ClNO2 — CID 106979267

IUPAC1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C1CCc2cc(Cl)ccc21
InChIInChI=1S/C17H22ClNO2/c1-2-8-17(16(20)21)9-3-10-19(17)15-7-4-12-11-13(18)5-6-14(12)15/h5-6,11,15H,2-4,7-10H2,1H3,(H,20,21)
InChIKeySHTSMOTYXPFSTH-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.05
Rot. Bonds4

About 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid

1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106979267) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106979267
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C1CCc2cc(Cl)ccc21
InChIInChI=1S/C17H22ClNO2/c1-2-8-17(16(20)21)9-3-10-19(17)15-7-4-12-11-13(18)5-6-14(12)15/h5-6,11,15H,2-4,7-10H2,1H3,(H,20,21)
InChIKeySHTSMOTYXPFSTH-UHFFFAOYSA-N
XLogP4.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidine-2-carboxylic acid
CID 83063730
1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977619
1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064518
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979306
2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane
CID 102849461
1-(2-fluoro-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977024
1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107971738
5-chloro-2,3-dihydro-1H-indene-1-carboxamide
CID 14857796
1-(4-bromo-2-chlorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977125
1-(2-chloro-4-fluorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977294
(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene
CID 155718281

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid (CID 106979267) is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C1CCc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is SHTSMOTYXPFSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-2-8-17(16(20)21)9-3-10-19(17)15-7-4-12-11-13(18)5-6-14(12)15/h5-6,11,15H,2-4,7-10H2,1H3,(H,20,21).
What are the key properties of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid?
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 307.82 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106979267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).