2-(3-acetyl-7-ethylindol-1-yl)acetic acid

C14H15NO3 — CID 6489109

IUPAC2-(3-acetyl-7-ethylindol-1-yl)acetic acid
SMILESCCc1cccc2c(C(C)=O)cn(CC(=O)O)c12
InChIInChI=1S/C14H15NO3/c1-3-10-5-4-6-11-12(9(2)16)7-15(14(10)11)8-13(17)18/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyMXVKFAWREZCKEO-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.49
Rot. Bonds4

About 2-(3-acetyl-7-ethylindol-1-yl)acetic acid

2-(3-acetyl-7-ethylindol-1-yl)acetic acid (PubChem CID 6489109) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(3-acetyl-7-ethylindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-acetyl-7-ethylindol-1-yl)acetic acid
PubChem CID6489109
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(3-acetyl-7-ethylindol-1-yl)acetic acid
SMILESCCc1cccc2c(C(C)=O)cn(CC(=O)O)c12
InChIInChI=1S/C14H15NO3/c1-3-10-5-4-6-11-12(9(2)16)7-15(14(10)11)8-13(17)18/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyMXVKFAWREZCKEO-UHFFFAOYSA-N
XLogP2.49
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetyl-7-ethylindol-1-yl)-N-cyclopentylacetamide
CID 2972257
1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone
CID 21380859
2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide
CID 119059159
2-(3-acetyl-7-ethylindol-1-yl)-1-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]ethanone
CID 91770901
2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 91787310
2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide
CID 118769075
1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone
CID 58968242
2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide
CID 91768528
2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide
CID 125158902
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone
CID 117098756
1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone
CID 21380867

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-7-ethylindol-1-yl)acetic acid?
The IUPAC name of 2-(3-acetyl-7-ethylindol-1-yl)acetic acid (CID 6489109) is 2-(3-acetyl-7-ethylindol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-acetyl-7-ethylindol-1-yl)acetic acid?
The canonical SMILES for 2-(3-acetyl-7-ethylindol-1-yl)acetic acid is CCc1cccc2c(C(C)=O)cn(CC(=O)O)c12.
What is the InChIKey of 2-(3-acetyl-7-ethylindol-1-yl)acetic acid?
The InChIKey is MXVKFAWREZCKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-10-5-4-6-11-12(9(2)16)7-15(14(10)11)8-13(17)18/h4-7H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-acetyl-7-ethylindol-1-yl)acetic acid?
2-(3-acetyl-7-ethylindol-1-yl)acetic acid has a molecular weight of 245.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-7-ethylindol-1-yl)acetic acid is sourced from PubChem (CID 6489109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).