(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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Related Compounds

(3E,5Z)-2,4-dibromohepta-1,3,5-triene
CID 156818612
(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene
CID 142091470
2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene
CID 91077238
(3Z,5Z)-4-bromo-2-methylhepta-1,3,5-trien-3-ol
CID 88945187
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
2-bromo-5-methylidenehepta-1,3-diene
CID 123950056
(3Z)-2-bromo-6-methylhepta-1,3,5-triene
CID 118586502
(3E,5Z)-4-bromo-3-methylhepta-1,3,5-triene
CID 144800259
(2E)-4-bromo-N-tert-butylsulfanyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;ethane
CID 171086406
2-bromohexa-1,3,5-triene
CID 91549125
ethane;(3Z)-penta-1,3-diene-2-thiol
CID 144844063

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).