1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid

C14H10N2O2 — CID 13192928

IUPAC1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESC=Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C14H10N2O2/c1-2-10-13-9(7-12(15-10)14(17)18)8-5-3-4-6-11(8)16-13/h2-7,16H,1H2,(H,17,18)
InChIKeyICWZJHDBAPKRIX-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.06
Rot. Bonds2

About 1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid

1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid (PubChem CID 13192928) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
PubChem CID13192928
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESC=Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C14H10N2O2/c1-2-10-13-9(7-12(15-10)14(17)18)8-5-3-4-6-11(8)16-13/h2-7,16H,1H2,(H,17,18)
InChIKeyICWZJHDBAPKRIX-UHFFFAOYSA-N
XLogP3.06
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The IUPAC name of 1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid (CID 13192928) is 1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid.
What is the SMILES notation for 1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The canonical SMILES for 1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid is C=Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The InChIKey is ICWZJHDBAPKRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-2-10-13-9(7-12(15-10)14(17)18)8-5-3-4-6-11(8)16-13/h2-7,16H,1H2,(H,17,18).
What are the key properties of 1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid?
1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid is sourced from PubChem (CID 13192928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).