1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid

C15H18N2O3 — CID 82537981

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCC(=O)N1CCc2cc(N3CCCC3C(=O)O)ccc21
InChIInChI=1S/C15H18N2O3/c1-10(18)16-8-6-11-9-12(4-5-13(11)16)17-7-2-3-14(17)15(19)20/h4-5,9,14H,2-3,6-8H2,1H3,(H,19,20)
InChIKeyWFNVFBJJVSPWGL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.65
Rot. Bonds2

About 1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid

1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid (PubChem CID 82537981) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid
PubChem CID82537981
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCC(=O)N1CCc2cc(N3CCCC3C(=O)O)ccc21
InChIInChI=1S/C15H18N2O3/c1-10(18)16-8-6-11-9-12(4-5-13(11)16)17-7-2-3-14(17)15(19)20/h4-5,9,14H,2-3,6-8H2,1H3,(H,19,20)
InChIKeyWFNVFBJJVSPWGL-UHFFFAOYSA-N
XLogP1.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 75110472
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
(2S)-1-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 131562941
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-[5-(cyclopentylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684604
1-[5-(2-cyclopropylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110871860
(2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 90114938
1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc
CID 145441295
1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid
CID 82537997
(3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid
CID 125133422
1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110429038

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid (CID 82537981) is 1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid is CC(=O)N1CCc2cc(N3CCCC3C(=O)O)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is WFNVFBJJVSPWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(18)16-8-6-11-9-12(4-5-13(11)16)17-7-2-3-14(17)15(19)20/h4-5,9,14H,2-3,6-8H2,1H3,(H,19,20).
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid?
1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82537981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).