1-bromopenta-2,3-diene

C5H7Br — CID 12507774

IUPAC1-bromopenta-2,3-diene
SMILESCC=C=CCBr
InChIInChI=1S/C5H7Br/c1-2-3-4-5-6/h2,4H,5H2,1H3
InChIKeyJSBTXAASWFDVSR-UHFFFAOYSA-N
MW147.01 g/mol
LogP2.11
Rot. Bonds1

About 1-bromopenta-2,3-diene

1-bromopenta-2,3-diene (PubChem CID 12507774) has the molecular formula C5H7Br and a molecular weight of 147.01 g/mol. Its IUPAC name is 1-bromopenta-2,3-diene.

Molecular Properties

Compound Name1-bromopenta-2,3-diene
PubChem CID12507774
Molecular FormulaC5H7Br
Molecular Weight147.01 g/mol
Exact Mass145.97
IUPAC Name1-bromopenta-2,3-diene
SMILESCC=C=CCBr
InChIInChI=1S/C5H7Br/c1-2-3-4-5-6/h2,4H,5H2,1H3
InChIKeyJSBTXAASWFDVSR-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

octa-5,6-dien-1-yne
CID 57058886
octa-5,6-dien-1-amine
CID 10034634
ethene;penta-2,3-diene
CID 174357342
6-methylnona-2,3-diene
CID 123230605
nona-6,7-dien-2-ol
CID 86125656
acetyl hexa-3,4-dienoate
CID 57110655
buta-1,2-dienylsilane
CID 175247842
penta-2,3-dienoxymethylbenzene
CID 135084296
buta-1,2-diene;ethane
CID 143712294
(5Z)-hepta-2,3,5-triene
CID 13356362
5-methylocta-2,3-diene
CID 123151584
(E)-1-bromo-2,3-dideuteriopent-2-ene
CID 58388272

Frequently Asked Questions

What is the IUPAC name of 1-bromopenta-2,3-diene?
The IUPAC name of 1-bromopenta-2,3-diene (CID 12507774) is 1-bromopenta-2,3-diene.
What is the SMILES notation for 1-bromopenta-2,3-diene?
The canonical SMILES for 1-bromopenta-2,3-diene is CC=C=CCBr.
What is the InChIKey of 1-bromopenta-2,3-diene?
The InChIKey is JSBTXAASWFDVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Br/c1-2-3-4-5-6/h2,4H,5H2,1H3.
What are the key properties of 1-bromopenta-2,3-diene?
1-bromopenta-2,3-diene has a molecular weight of 147.01 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopenta-2,3-diene is sourced from PubChem (CID 12507774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).