2-methylbuta-1,3-diene;pyrazine

C9H12N2 — CID 175573056

IUPAC2-methylbuta-1,3-diene;pyrazine
SMILESC=CC(=C)C.c1cnccn1
InChIInChI=1S/C5H8.C4H4N2/c1-4-5(2)3;1-2-6-4-3-5-1/h4H,1-2H2,3H3;1-4H
InChIKeyWVVPKCPLXADLQC-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.23
Rot. Bonds1

About 2-methylbuta-1,3-diene;pyrazine

2-methylbuta-1,3-diene;pyrazine (PubChem CID 175573056) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-methylbuta-1,3-diene;pyrazine.

Molecular Properties

Compound Name2-methylbuta-1,3-diene;pyrazine
PubChem CID175573056
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-methylbuta-1,3-diene;pyrazine
SMILESC=CC(=C)C.c1cnccn1
InChIInChI=1S/C5H8.C4H4N2/c1-4-5(2)3;1-2-6-4-3-5-1/h4H,1-2H2,3H3;1-4H
InChIKeyWVVPKCPLXADLQC-UHFFFAOYSA-N
XLogP2.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-imidazole;2-methylbuta-1,3-diene
CID 175599889
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
2-methylbuta-1,3-diene;penta-1,4-diene
CID 22568286
formonitrile;2-methylbuta-1,3-diene
CID 159945395
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
acetic acid;2-methylbuta-1,3-diene
CID 162329319
buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene
CID 163756056
methane;2-methylbuta-1,3-diene;1,4-xylene
CID 145089492
2-methylbuta-1,3-diene;naphthalene
CID 159864264
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
2-methylprop-1-ene;pyridine
CID 160671535

Frequently Asked Questions

What is the IUPAC name of 2-methylbuta-1,3-diene;pyrazine?
The IUPAC name of 2-methylbuta-1,3-diene;pyrazine (CID 175573056) is 2-methylbuta-1,3-diene;pyrazine.
What is the SMILES notation for 2-methylbuta-1,3-diene;pyrazine?
The canonical SMILES for 2-methylbuta-1,3-diene;pyrazine is C=CC(=C)C.c1cnccn1.
What is the InChIKey of 2-methylbuta-1,3-diene;pyrazine?
The InChIKey is WVVPKCPLXADLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.C4H4N2/c1-4-5(2)3;1-2-6-4-3-5-1/h4H,1-2H2,3H3;1-4H.
What are the key properties of 2-methylbuta-1,3-diene;pyrazine?
2-methylbuta-1,3-diene;pyrazine has a molecular weight of 148.21 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbuta-1,3-diene;pyrazine is sourced from PubChem (CID 175573056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).