2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine

C10H14N2 — CID 142851452

IUPAC2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine
SMILESC=C/C(C)=C\C1=NC=CNC1C
InChIInChI=1S/C10H14N2/c1-4-8(2)7-10-9(3)11-5-6-12-10/h4-7,9,11H,1H2,2-3H3/b8-7-
InChIKeyZWQBBIAKZMPQFQ-FPLPWBNLSA-N
MW162.24 g/mol
LogP2.02
Rot. Bonds2

About 2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine

2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine (PubChem CID 142851452) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine.

Molecular Properties

Compound Name2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine
PubChem CID142851452
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine
SMILESC=C/C(C)=C\C1=NC=CNC1C
InChIInChI=1S/C10H14N2/c1-4-8(2)7-10-9(3)11-5-6-12-10/h4-7,9,11H,1H2,2-3H3/b8-7-
InChIKeyZWQBBIAKZMPQFQ-FPLPWBNLSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine?
The IUPAC name of 2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine (CID 142851452) is 2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine.
What is the SMILES notation for 2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine?
The canonical SMILES for 2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine is C=C/C(C)=C\C1=NC=CNC1C.
What is the InChIKey of 2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine?
The InChIKey is ZWQBBIAKZMPQFQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-8(2)7-10-9(3)11-5-6-12-10/h4-7,9,11H,1H2,2-3H3/b8-7-.
What are the key properties of 2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine?
2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine has a molecular weight of 162.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine is sourced from PubChem (CID 142851452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).