3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid

C12H12N2O2 — CID 69422557

IUPAC3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid
SMILESO=C(O)N1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C12H12N2O2/c15-12(16)13-5-6-14-10(8-13)7-9-3-1-2-4-11(9)14/h1-4,7H,5-6,8H2,(H,15,16)
InChIKeyOBALHPQJMUDKCR-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.13
Rot. Bonds

About 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid

3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid (PubChem CID 69422557) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid
PubChem CID69422557
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid
SMILESO=C(O)N1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C12H12N2O2/c15-12(16)13-5-6-14-10(8-13)7-9-3-1-2-4-11(9)14/h1-4,7H,5-6,8H2,(H,15,16)
InChIKeyOBALHPQJMUDKCR-UHFFFAOYSA-N
XLogP2.13
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid?
The IUPAC name of 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid (CID 69422557) is 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid.
What is the SMILES notation for 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid?
The canonical SMILES for 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid is O=C(O)N1CCn2c(cc3ccccc32)C1.
What is the InChIKey of 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid?
The InChIKey is OBALHPQJMUDKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(16)13-5-6-14-10(8-13)7-9-3-1-2-4-11(9)14/h1-4,7H,5-6,8H2,(H,15,16).
What are the key properties of 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid?
3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid is sourced from PubChem (CID 69422557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).