3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid

C16H19NO3 — CID 22627341

IUPAC3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid
SMILESCCCc1[nH]c2cc(C(=O)O)ccc2c1C(=O)C(C)C
InChIInChI=1S/C16H19NO3/c1-4-5-12-14(15(18)9(2)3)11-7-6-10(16(19)20)8-13(11)17-12/h6-9,17H,4-5H2,1-3H3,(H,19,20)
InChIKeyIUWDFLPNSBPKIU-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.66
Rot. Bonds5

About 3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid

3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid (PubChem CID 22627341) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid
PubChem CID22627341
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid
SMILESCCCc1[nH]c2cc(C(=O)O)ccc2c1C(=O)C(C)C
InChIInChI=1S/C16H19NO3/c1-4-5-12-14(15(18)9(2)3)11-7-6-10(16(19)20)8-13(11)17-12/h6-9,17H,4-5H2,1-3H3,(H,19,20)
InChIKeyIUWDFLPNSBPKIU-UHFFFAOYSA-N
XLogP3.66
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetyl-2-methyl-1H-indole-6-carboxylic acid
CID 105470655
3-octyl-1H-indole-6-carboxylic acid
CID 12797257
3-hexadecyl-1H-indole-6-carboxylic acid
CID 12797258
1-[(2-cyanophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-6-carboxylic acid
CID 22627202
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145
2-oxo-4-propan-2-yl-1H-quinoline-7-carboxylic acid
CID 134357859
3-[(propan-2-ylamino)methyl]-1H-indole-6-carboxylic acid
CID 117178714
3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide
CID 22627332
3-dodecyl-4-phenylbenzoic acid
CID 19933758
3-ethyl-1H-indole-5-carboxylic acid
CID 70338709
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
4-fluoro-3-propylbenzoic acid
CID 11745258

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid?
The IUPAC name of 3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid (CID 22627341) is 3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid.
What is the SMILES notation for 3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid?
The canonical SMILES for 3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid is CCCc1[nH]c2cc(C(=O)O)ccc2c1C(=O)C(C)C.
What is the InChIKey of 3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid?
The InChIKey is IUWDFLPNSBPKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-5-12-14(15(18)9(2)3)11-7-6-10(16(19)20)8-13(11)17-12/h6-9,17H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid?
3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoyl)-2-propyl-1H-indole-6-carboxylic acid is sourced from PubChem (CID 22627341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).