8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid

C12H13N3O2 — CID 89486449

IUPAC8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
SMILESN#Cc1cc(C2CC2)n2c1CN(C(=O)O)CC2
InChIInChI=1S/C12H13N3O2/c13-6-9-5-10(8-1-2-8)15-4-3-14(12(16)17)7-11(9)15/h5,8H,1-4,7H2,(H,16,17)
InChIKeyLRFANMDTYFDRCZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.73
Rot. Bonds1

About 8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid

8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 89486449) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID89486449
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
SMILESN#Cc1cc(C2CC2)n2c1CN(C(=O)O)CC2
InChIInChI=1S/C12H13N3O2/c13-6-9-5-10(8-1-2-8)15-4-3-14(12(16)17)7-11(9)15/h5,8H,1-4,7H2,(H,16,17)
InChIKeyLRFANMDTYFDRCZ-UHFFFAOYSA-N
XLogP1.73
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid (CID 89486449) is 8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid is N#Cc1cc(C2CC2)n2c1CN(C(=O)O)CC2.
What is the InChIKey of 8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is LRFANMDTYFDRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-6-9-5-10(8-1-2-8)15-4-3-14(12(16)17)7-11(9)15/h5,8H,1-4,7H2,(H,16,17).
What are the key properties of 8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid?
8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 89486449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).