(6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine

C15H15ClN2 — CID 69133778

IUPAC(6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine
SMILESClc1cccc(C#C[C@H]2CC=C3CNCCN32)c1
InChIInChI=1S/C15H15ClN2/c16-13-3-1-2-12(10-13)4-5-14-6-7-15-11-17-8-9-18(14)15/h1-3,7,10,14,17H,6,8-9,11H2/t14-/m0/s1
InChIKeyUCDJFOLWKDXYDE-AWEZNQCLSA-N
MW258.75 g/mol
LogP2.25
Rot. Bonds

About (6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine

(6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine (PubChem CID 69133778) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is (6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine
PubChem CID69133778
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name(6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine
SMILESClc1cccc(C#C[C@H]2CC=C3CNCCN32)c1
InChIInChI=1S/C15H15ClN2/c16-13-3-1-2-12(10-13)4-5-14-6-7-15-11-17-8-9-18(14)15/h1-3,7,10,14,17H,6,8-9,11H2/t14-/m0/s1
InChIKeyUCDJFOLWKDXYDE-AWEZNQCLSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine (CID 69133778) is (6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine is Clc1cccc(C#C[C@H]2CC=C3CNCCN32)c1.
What is the InChIKey of (6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
The InChIKey is UCDJFOLWKDXYDE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-13-3-1-2-12(10-13)4-5-14-6-7-15-11-17-8-9-18(14)15/h1-3,7,10,14,17H,6,8-9,11H2/t14-/m0/s1.
What are the key properties of (6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
(6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine has a molecular weight of 258.75 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[2-(3-chlorophenyl)ethynyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 69133778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).