(E)-4-bromopent-3-en-1-yne

C5H5Br — CID 143778319

IUPAC(E)-4-bromopent-3-en-1-yne
SMILESC#C/C=C(\C)Br
InChIInChI=1S/C5H5Br/c1-3-4-5(2)6/h1,4H,2H3/b5-4+
InChIKeyUDXDNHIJSUMHAO-SNAWJCMRSA-N
MW145.00 g/mol
LogP1.92
Rot. Bonds

About (E)-4-bromopent-3-en-1-yne

(E)-4-bromopent-3-en-1-yne (PubChem CID 143778319) has the molecular formula C5H5Br and a molecular weight of 145.00 g/mol. Its IUPAC name is (E)-4-bromopent-3-en-1-yne.

Molecular Properties

Compound Name(E)-4-bromopent-3-en-1-yne
PubChem CID143778319
Molecular FormulaC5H5Br
Molecular Weight145.00 g/mol
Exact Mass143.96
IUPAC Name(E)-4-bromopent-3-en-1-yne
SMILESC#C/C=C(\C)Br
InChIInChI=1S/C5H5Br/c1-3-4-5(2)6/h1,4H,2H3/b5-4+
InChIKeyUDXDNHIJSUMHAO-SNAWJCMRSA-N
XLogP1.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.00
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-chloropent-3-en-1-yne
CID 143498837
(3E,5Z)-4-methoxy-5-methylhepta-3,5-dien-1-yne
CID 142265338
2-bromoprop-1-en-1-ol
CID 71347780
5,5-diethoxy-4-methylpent-3-en-1-yne
CID 3021755
but-1-en-3-yne;methanol
CID 158856275
(2E,4E)-3-amino-2-[(E)-pent-2-en-4-yn-2-yl]hepta-2,4,6-trienenitrile
CID 143427931
(Z)-3-tert-butylsulfanyl-2-methylhex-3-en-5-yn-2-ol
CID 12882488
8-bromo-5-methylnona-5,6,7-trien-1-yne
CID 14565307
(E)-4-methoxyoct-3-en-1-yne
CID 101065502
2-bromo-4-methylhexa-2,4-diene
CID 76702782
(E)-1,3-dibromobut-2-ene
CID 11117390
ethane;(3Z,5Z,8E)-8-ethyl-4-methylundeca-3,5,8-trien-1-yne
CID 143337118

Frequently Asked Questions

What is the IUPAC name of (E)-4-bromopent-3-en-1-yne?
The IUPAC name of (E)-4-bromopent-3-en-1-yne (CID 143778319) is (E)-4-bromopent-3-en-1-yne.
What is the SMILES notation for (E)-4-bromopent-3-en-1-yne?
The canonical SMILES for (E)-4-bromopent-3-en-1-yne is C#C/C=C(\C)Br.
What is the InChIKey of (E)-4-bromopent-3-en-1-yne?
The InChIKey is UDXDNHIJSUMHAO-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H5Br/c1-3-4-5(2)6/h1,4H,2H3/b5-4+.
What are the key properties of (E)-4-bromopent-3-en-1-yne?
(E)-4-bromopent-3-en-1-yne has a molecular weight of 145.00 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromopent-3-en-1-yne is sourced from PubChem (CID 143778319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).