3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid

C15H15NO3 — CID 175416824

IUPAC3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid
SMILESCCC1c2c(c3ccccc3n2C(=O)O)C(=O)C1C
InChIInChI=1S/C15H15NO3/c1-3-9-8(2)14(17)12-10-6-4-5-7-11(10)16(13(9)12)15(18)19/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyNROMDWWDGOFALA-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.49
Rot. Bonds1

About 3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid

3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid (PubChem CID 175416824) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid
PubChem CID175416824
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid
SMILESCCC1c2c(c3ccccc3n2C(=O)O)C(=O)C1C
InChIInChI=1S/C15H15NO3/c1-3-9-8(2)14(17)12-10-6-4-5-7-11(10)16(13(9)12)15(18)19/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyNROMDWWDGOFALA-UHFFFAOYSA-N
XLogP3.49
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethoxyindole-1-carboxylic acid
CID 150022896
1-carbazol-9-ylethanone;ethane
CID 142183368
3-methyl-1,2,3,4-tetrahydropyrido[3,2-b]indole-5-carboxylic acid
CID 3048012
4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid
CID 166731468
1-carbazol-9-ylethanone;diaziridin-3-one
CID 174714920
1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid
CID 175334508
1-benzyl-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid
CID 90752239
3-bromo-2-cyanoindole-1-carboxylic acid
CID 90720047
5-(2-ethoxy-2-oxoethylidene)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxo-3,4-dihydroazepino[3,4-b]indole-10-carboxylic acid
CID 68637739
1-carbazol-9-yl-2-methylbutan-1-one
CID 58981488
2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid
CID 174530956
3,4-dibutyl-2-oxoquinoline-1-carboxamide
CID 121348479

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid?
The IUPAC name of 3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid (CID 175416824) is 3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid?
The canonical SMILES for 3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid is CCC1c2c(c3ccccc3n2C(=O)O)C(=O)C1C.
What is the InChIKey of 3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid?
The InChIKey is NROMDWWDGOFALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-9-8(2)14(17)12-10-6-4-5-7-11(10)16(13(9)12)15(18)19/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid?
3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid is sourced from PubChem (CID 175416824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).