5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid

C14H16N2O2 — CID 130233349

IUPAC5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid
SMILESCCn1c2c(c3ccccc31)CN(C(=O)O)CC2
InChIInChI=1S/C14H16N2O2/c1-2-16-12-6-4-3-5-10(12)11-9-15(14(17)18)8-7-13(11)16/h3-6H,2,7-9H2,1H3,(H,17,18)
InChIKeyIZZMDQUNGMNEFE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.70
Rot. Bonds1

About 5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid

5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid (PubChem CID 130233349) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid
PubChem CID130233349
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid
SMILESCCn1c2c(c3ccccc31)CN(C(=O)O)CC2
InChIInChI=1S/C14H16N2O2/c1-2-16-12-6-4-3-5-10(12)11-9-15(14(17)18)8-7-13(11)16/h3-6H,2,7-9H2,1H3,(H,17,18)
InChIKeyIZZMDQUNGMNEFE-UHFFFAOYSA-N
XLogP2.70
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid?
The IUPAC name of 5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid (CID 130233349) is 5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid?
The canonical SMILES for 5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid is CCn1c2c(c3ccccc31)CN(C(=O)O)CC2.
What is the InChIKey of 5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid?
The InChIKey is IZZMDQUNGMNEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-16-12-6-4-3-5-10(12)11-9-15(14(17)18)8-7-13(11)16/h3-6H,2,7-9H2,1H3,(H,17,18).
What are the key properties of 5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid?
5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid is sourced from PubChem (CID 130233349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).