6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine

C14H13ClN2 — CID 19095297

IUPAC6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine
SMILESCC1=NCCn2c1ccc2-c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2/c1-10-13-5-6-14(17(13)8-7-16-10)11-3-2-4-12(15)9-11/h2-6,9H,7-8H2,1H3
InChIKeyPKFHBJGERGISNR-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.63
Rot. Bonds1

About 6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine

6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine (PubChem CID 19095297) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine
PubChem CID19095297
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine
SMILESCC1=NCCn2c1ccc2-c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2/c1-10-13-5-6-14(17(13)8-7-16-10)11-3-2-4-12(15)9-11/h2-6,9H,7-8H2,1H3
InChIKeyPKFHBJGERGISNR-UHFFFAOYSA-N
XLogP3.63
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine (CID 19095297) is 6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine is CC1=NCCn2c1ccc2-c1cccc(Cl)c1.
What is the InChIKey of 6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine?
The InChIKey is PKFHBJGERGISNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c1-10-13-5-6-14(17(13)8-7-16-10)11-3-2-4-12(15)9-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine?
6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine has a molecular weight of 244.73 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 19095297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).