2-(2-propylindol-1-yl)acetic acid

C13H15NO2 — CID 139491348

IUPAC2-(2-propylindol-1-yl)acetic acid
SMILESCCCc1cc2ccccc2n1CC(=O)O
InChIInChI=1S/C13H15NO2/c1-2-5-11-8-10-6-3-4-7-12(10)14(11)9-13(15)16/h3-4,6-8H,2,5,9H2,1H3,(H,15,16)
InChIKeyBFIVTOPKNGPOAE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.68
Rot. Bonds4

About 2-(2-propylindol-1-yl)acetic acid

2-(2-propylindol-1-yl)acetic acid (PubChem CID 139491348) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(2-propylindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propylindol-1-yl)acetic acid
PubChem CID139491348
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(2-propylindol-1-yl)acetic acid
SMILESCCCc1cc2ccccc2n1CC(=O)O
InChIInChI=1S/C13H15NO2/c1-2-5-11-8-10-6-3-4-7-12(10)14(11)9-13(15)16/h3-4,6-8H,2,5,9H2,1H3,(H,15,16)
InChIKeyBFIVTOPKNGPOAE-UHFFFAOYSA-N
XLogP2.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-nonyl-2-propylindole
CID 19869956
1-methyl-2-propylindole
CID 13170349
ethane;methyl 3-(1-ethylindol-2-yl)propanoate
CID 91236893
1-(1-ethylindol-2-yl)propan-2-one
CID 115107033
2-(1-ethylindol-2-yl)acetamide
CID 67469018
1-(2-methylidenebutyl)indole-2-carboxylic acid
CID 66044537
acetic acid;2-ethyl-1-methylindole
CID 70581856
2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid
CID 139691943
methyl 2-(1-benzylindol-2-yl)acetate
CID 165356079
1-(ethoxymethyl)indole-2-carboxylic acid
CID 71445591
2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
CID 67202043
2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid
CID 115107125

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylindol-1-yl)acetic acid?
The IUPAC name of 2-(2-propylindol-1-yl)acetic acid (CID 139491348) is 2-(2-propylindol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-propylindol-1-yl)acetic acid?
The canonical SMILES for 2-(2-propylindol-1-yl)acetic acid is CCCc1cc2ccccc2n1CC(=O)O.
What is the InChIKey of 2-(2-propylindol-1-yl)acetic acid?
The InChIKey is BFIVTOPKNGPOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-5-11-8-10-6-3-4-7-12(10)14(11)9-13(15)16/h3-4,6-8H,2,5,9H2,1H3,(H,15,16).
What are the key properties of 2-(2-propylindol-1-yl)acetic acid?
2-(2-propylindol-1-yl)acetic acid has a molecular weight of 217.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylindol-1-yl)acetic acid is sourced from PubChem (CID 139491348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).