(2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine

C10H16N2 — CID 167298932

IUPAC(2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine
SMILESC=C(C)CCC1N=CC=N[C@H]1C
InChIInChI=1S/C10H16N2/c1-8(2)4-5-10-9(3)11-6-7-12-10/h6-7,9-10H,1,4-5H2,2-3H3/t9-,10?/m0/s1
InChIKeyISLCUISOZWNVGY-RGURZIINSA-N
MW164.25 g/mol
LogP2.26
Rot. Bonds3

About (2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine

(2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine (PubChem CID 167298932) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine.

Molecular Properties

Compound Name(2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine
PubChem CID167298932
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine
SMILESC=C(C)CCC1N=CC=N[C@H]1C
InChIInChI=1S/C10H16N2/c1-8(2)4-5-10-9(3)11-6-7-12-10/h6-7,9-10H,1,4-5H2,2-3H3/t9-,10?/m0/s1
InChIKeyISLCUISOZWNVGY-RGURZIINSA-N
XLogP2.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine?
The IUPAC name of (2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine (CID 167298932) is (2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine.
What is the SMILES notation for (2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine?
The canonical SMILES for (2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine is C=C(C)CCC1N=CC=N[C@H]1C.
What is the InChIKey of (2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine?
The InChIKey is ISLCUISOZWNVGY-RGURZIINSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)4-5-10-9(3)11-6-7-12-10/h6-7,9-10H,1,4-5H2,2-3H3/t9-,10?/m0/s1.
What are the key properties of (2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine?
(2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine has a molecular weight of 164.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-(3-methylbut-3-enyl)-2,3-dihydropyrazine is sourced from PubChem (CID 167298932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).