(2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine

C11H14Br2N2 — CID 118074678

IUPAC(2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine
SMILESC/C=C\N1C=C(Br)N=C(Br)/C1=C\CCC
InChIInChI=1S/C11H14Br2N2/c1-3-5-6-9-11(13)14-10(12)8-15(9)7-4-2/h4,6-8H,3,5H2,1-2H3/b7-4-,9-6+
InChIKeyQQWCCIAHHXRLIC-WCXGJSBASA-N
MW334.06 g/mol
LogP4.51
Rot. Bonds3

About (2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine

(2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine (PubChem CID 118074678) has the molecular formula C11H14Br2N2 and a molecular weight of 334.06 g/mol. Its IUPAC name is (2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine.

Molecular Properties

Compound Name(2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine
PubChem CID118074678
Molecular FormulaC11H14Br2N2
Molecular Weight334.06 g/mol
Exact Mass331.95
IUPAC Name(2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine
SMILESC/C=C\N1C=C(Br)N=C(Br)/C1=C\CCC
InChIInChI=1S/C11H14Br2N2/c1-3-5-6-9-11(13)14-10(12)8-15(9)7-4-2/h4,6-8H,3,5H2,1-2H3/b7-4-,9-6+
InChIKeyQQWCCIAHHXRLIC-WCXGJSBASA-N
XLogP4.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.06
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-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

Frequently Asked Questions

What is the IUPAC name of (2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine?
The IUPAC name of (2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine (CID 118074678) is (2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine.
What is the SMILES notation for (2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine?
The canonical SMILES for (2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine is C/C=C\N1C=C(Br)N=C(Br)/C1=C\CCC.
What is the InChIKey of (2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine?
The InChIKey is QQWCCIAHHXRLIC-WCXGJSBASA-N. The full InChI is InChI=1S/C11H14Br2N2/c1-3-5-6-9-11(13)14-10(12)8-15(9)7-4-2/h4,6-8H,3,5H2,1-2H3/b7-4-,9-6+.
What are the key properties of (2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine?
(2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine has a molecular weight of 334.06 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine is sourced from PubChem (CID 118074678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).