4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid

C14H15NO2 — CID 83946840

IUPAC4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
SMILESCCn1c2c(c3cc(C(=O)O)ccc31)CCC2
InChIInChI=1S/C14H15NO2/c1-2-15-12-5-3-4-10(12)11-8-9(14(16)17)6-7-13(11)15/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyKOOMDOLNWFFCLY-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.85
Rot. Bonds2

About 4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid

4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid (PubChem CID 83946840) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
PubChem CID83946840
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
SMILESCCn1c2c(c3cc(C(=O)O)ccc31)CCC2
InChIInChI=1S/C14H15NO2/c1-2-15-12-5-3-4-10(12)11-8-9(14(16)17)6-7-13(11)15/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyKOOMDOLNWFFCLY-UHFFFAOYSA-N
XLogP2.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1H-Indole-5-Carboxylic Acid
CID 74280
4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
CID 459078
1H-Indole-2-carboxylic acid, 1-methyl-
CID 27695
2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 729801
3-methyl-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 2791194
1-benzyl-2,3-dimethyl-1H-indole-5-carboxylic acid
CID 563822
Indocate
CID 65776
9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
CID 10017976
Benzoic acid, p-(2-methyl-5-phenylpyrrol-1-yl)-
CID 213331
1-Phenyl-1H-Indole-2-Carboxylic Acid
CID 646116
Amindocate
CID 178144
1-(Carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
CID 46398840

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid?
The IUPAC name of 4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid (CID 83946840) is 4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid.
What is the SMILES notation for 4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid?
The canonical SMILES for 4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid is CCn1c2c(c3cc(C(=O)O)ccc31)CCC2.
What is the InChIKey of 4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid?
The InChIKey is KOOMDOLNWFFCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-15-12-5-3-4-10(12)11-8-9(14(16)17)6-7-13(11)15/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid?
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid is sourced from PubChem (CID 83946840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).