(3Z)-2-bromopenta-1,3-diene

C5H7Br — CID 89363869

IUPAC(3Z)-2-bromopenta-1,3-diene
SMILESC=C(Br)/C=C\C
InChIInChI=1S/C5H7Br/c1-3-4-5(2)6/h3-4H,2H2,1H3/b4-3-
InChIKeyGLRCRDAAMUODFR-ARJAWSKDSA-N
MW147.01 g/mol
LogP2.47
Rot. Bonds1

About (3Z)-2-bromopenta-1,3-diene

(3Z)-2-bromopenta-1,3-diene (PubChem CID 89363869) has the molecular formula C5H7Br and a molecular weight of 147.01 g/mol. Its IUPAC name is (3Z)-2-bromopenta-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-bromopenta-1,3-diene
PubChem CID89363869
Molecular FormulaC5H7Br
Molecular Weight147.01 g/mol
Exact Mass145.97
IUPAC Name(3Z)-2-bromopenta-1,3-diene
SMILESC=C(Br)/C=C\C
InChIInChI=1S/C5H7Br/c1-3-4-5(2)6/h3-4H,2H2,1H3/b4-3-
InChIKeyGLRCRDAAMUODFR-ARJAWSKDSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.01
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-bromopenta-1,3-diene?
The IUPAC name of (3Z)-2-bromopenta-1,3-diene (CID 89363869) is (3Z)-2-bromopenta-1,3-diene.
What is the SMILES notation for (3Z)-2-bromopenta-1,3-diene?
The canonical SMILES for (3Z)-2-bromopenta-1,3-diene is C=C(Br)/C=C\C.
What is the InChIKey of (3Z)-2-bromopenta-1,3-diene?
The InChIKey is GLRCRDAAMUODFR-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H7Br/c1-3-4-5(2)6/h3-4H,2H2,1H3/b4-3-.
What are the key properties of (3Z)-2-bromopenta-1,3-diene?
(3Z)-2-bromopenta-1,3-diene has a molecular weight of 147.01 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-bromopenta-1,3-diene is sourced from PubChem (CID 89363869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).