2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine

C13H18N2O — CID 123349023

IUPAC2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine
SMILESC=C(OC)c1nccnc1C=C(C)CCC
InChIInChI=1S/C13H18N2O/c1-5-6-10(2)9-12-13(11(3)16-4)15-8-7-14-12/h7-9H,3,5-6H2,1-2,4H3
InChIKeyCICVHGPRXXZHCI-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.30
Rot. Bonds5

About 2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine

2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine (PubChem CID 123349023) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine.

Molecular Properties

Compound Name2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine
PubChem CID123349023
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine
SMILESC=C(OC)c1nccnc1C=C(C)CCC
InChIInChI=1S/C13H18N2O/c1-5-6-10(2)9-12-13(11(3)16-4)15-8-7-14-12/h7-9H,3,5-6H2,1-2,4H3
InChIKeyCICVHGPRXXZHCI-UHFFFAOYSA-N
XLogP3.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]pyrazine
CID 176701007
2-(1-Methoxyvinyl)-3-methylpyrazine
CID 68364146
2-(2H-pyran-6-yl)pyrazine
CID 91255487
2-(3,4-dihydro-2H-pyran-6-yl)pyrazine
CID 91585440
2-Chloro-6-(1-methoxyprop-1-enyl)pyrazine
CID 118220513
(Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile
CID 129203662
3-(1-Ethoxyethenyl)pyrazine-2-carbonitrile
CID 142789285
2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine
CID 144515494
2-(4aH-benzo[c]chromen-6-yl)pyrazine
CID 153747980
2-[(E)-methoxy(thiophen-3-ylidene)methyl]pyrazine
CID 164069651
2-Ethenyl-3-(1-methoxyethenyl)-5-methylpyrazine
CID 168262102
3-(1-Ethoxyethenyl)-2,5-dimethylpyrazine
CID 169267308

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine?
The IUPAC name of 2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine (CID 123349023) is 2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine.
What is the SMILES notation for 2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine?
The canonical SMILES for 2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine is C=C(OC)c1nccnc1C=C(C)CCC.
What is the InChIKey of 2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine?
The InChIKey is CICVHGPRXXZHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-5-6-10(2)9-12-13(11(3)16-4)15-8-7-14-12/h7-9H,3,5-6H2,1-2,4H3.
What are the key properties of 2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine?
2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine has a molecular weight of 218.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine is sourced from PubChem (CID 123349023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).