2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid

C9H12N2O2 — CID 82654270

IUPAC2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid
SMILESCN1CCn2cc(C(=O)O)cc2C1
InChIInChI=1S/C9H12N2O2/c1-10-2-3-11-5-7(9(12)13)4-8(11)6-10/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKeySNYWJXYIPXLROM-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.63
Rot. Bonds1

About 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid

2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 82654270) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid
PubChem CID82654270
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid
SMILESCN1CCn2cc(C(=O)O)cc2C1
InChIInChI=1S/C9H12N2O2/c1-10-2-3-11-5-7(9(12)13)4-8(11)6-10/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKeySNYWJXYIPXLROM-UHFFFAOYSA-N
XLogP0.63
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid (CID 82654270) is 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid is CN1CCn2cc(C(=O)O)cc2C1.
What is the InChIKey of 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is SNYWJXYIPXLROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-10-2-3-11-5-7(9(12)13)4-8(11)6-10/h4-5H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid?
2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 82654270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).