6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid

C13H13NO4 — CID 83947489

IUPAC6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid
SMILESCCn1cc(C(=O)O)c2cc3c(cc21)OCCO3
InChIInChI=1S/C13H13NO4/c1-2-14-7-9(13(15)16)8-5-11-12(6-10(8)14)18-4-3-17-11/h5-7H,2-4H2,1H3,(H,15,16)
InChIKeyWUVPIZURACSVKZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.13
Rot. Bonds2

About 6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid

6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid (PubChem CID 83947489) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid
PubChem CID83947489
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid
SMILESCCn1cc(C(=O)O)c2cc3c(cc21)OCCO3
InChIInChI=1S/C13H13NO4/c1-2-14-7-9(13(15)16)8-5-11-12(6-10(8)14)18-4-3-17-11/h5-7H,2-4H2,1H3,(H,15,16)
InChIKeyWUVPIZURACSVKZ-UHFFFAOYSA-N
XLogP2.13
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-butyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid
CID 83947501
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid
CID 83944642
6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carbonitrile
CID 11499585
methyl 4-(5-ethyl-[1,3]dioxolo[4,5-f]indol-7-yl)-2,4-dioxobutanoate
CID 11347659
methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 14852082
3-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoic acid
CID 8022644
7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 50877261
5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 142567545
3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine
CID 83948412
2-morpholin-4-ylethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 15048132
1,3-diethyl-6-methylindole-5-carboxylic acid
CID 83963376

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid?
The IUPAC name of 6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid (CID 83947489) is 6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid.
What is the SMILES notation for 6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid?
The canonical SMILES for 6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid is CCn1cc(C(=O)O)c2cc3c(cc21)OCCO3.
What is the InChIKey of 6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid?
The InChIKey is WUVPIZURACSVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-2-14-7-9(13(15)16)8-5-11-12(6-10(8)14)18-4-3-17-11/h5-7H,2-4H2,1H3,(H,15,16).
What are the key properties of 6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid?
6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid is sourced from PubChem (CID 83947489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).