(1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium

C10H17N2+ — CID 7014101

IUPAC(1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium
SMILESCCC[C@@H]1[NH2+]CCn2cccc21
InChIInChI=1S/C10H16N2/c1-2-4-9-10-5-3-7-12(10)8-6-11-9/h3,5,7,9,11H,2,4,6,8H2,1H3/p+1/t9-/m0/s1
InChIKeyAHCSSPLIMUPHPF-VIFPVBQESA-O
MW165.26 g/mol
LogP0.91
Rot. Bonds2

About (1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium

(1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium (PubChem CID 7014101) has the molecular formula C10H17N2+ and a molecular weight of 165.26 g/mol. Its IUPAC name is (1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium.

Molecular Properties

Compound Name(1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium
PubChem CID7014101
Molecular FormulaC10H17N2+
Molecular Weight165.26 g/mol
Exact Mass165.14
IUPAC Name(1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium
SMILESCCC[C@@H]1[NH2+]CCn2cccc21
InChIInChI=1S/C10H16N2/c1-2-4-9-10-5-3-7-12(10)8-6-11-9/h3,5,7,9,11H,2,4,6,8H2,1H3/p+1/t9-/m0/s1
InChIKeyAHCSSPLIMUPHPF-VIFPVBQESA-O
XLogP0.91
TPSA21.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium?
The IUPAC name of (1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium (CID 7014101) is (1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium.
What is the SMILES notation for (1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium?
The canonical SMILES for (1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium is CCC[C@@H]1[NH2+]CCn2cccc21.
What is the InChIKey of (1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium?
The InChIKey is AHCSSPLIMUPHPF-VIFPVBQESA-O. The full InChI is InChI=1S/C10H16N2/c1-2-4-9-10-5-3-7-12(10)8-6-11-9/h3,5,7,9,11H,2,4,6,8H2,1H3/p+1/t9-/m0/s1.
What are the key properties of (1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium?
(1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium has a molecular weight of 165.26 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-propyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium is sourced from PubChem (CID 7014101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).