2-iodobut-1-ene

C4H7I — CID 14042947

IUPAC2-iodobut-1-ene
SMILESC=C(I)CC
InChIInChI=1S/C4H7I/c1-3-4(2)5/h2-3H2,1H3
InChIKeyOAGSUVCXVPDHDA-UHFFFAOYSA-N
MW182.00 g/mol
LogP2.35
Rot. Bonds1

About 2-iodobut-1-ene

2-iodobut-1-ene (PubChem CID 14042947) has the molecular formula C4H7I and a molecular weight of 182.00 g/mol. Its IUPAC name is 2-iodobut-1-ene.

Molecular Properties

Compound Name2-iodobut-1-ene
PubChem CID14042947
Molecular FormulaC4H7I
Molecular Weight182.00 g/mol
Exact Mass181.96
IUPAC Name2-iodobut-1-ene
SMILESC=C(I)CC
InChIInChI=1S/C4H7I/c1-3-4(2)5/h2-3H2,1H3
InChIKeyOAGSUVCXVPDHDA-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.00
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;bis(2-methylbut-1-ene)
CID 160529780
3-methylidenepentane;hydrate
CID 162329688
N-hydroxybut-1-en-2-amine oxide
CID 163830558
bis(2-methylprop-1-ene);propane
CID 159493997
(4R)-4-chloro-2-iodohept-1-ene
CID 154992040
butane;ethane;2-methylbut-1-ene
CID 142050807
N,N-dimethylmethanamine;2-methylbut-1-ene
CID 88812091
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
magnesium;2-methanidylbut-1-ene;bromide
CID 10888403
2,4-diiodobut-1-ene
CID 22558524
CID 118521699
CID 118521699
carbonic acid;2-methylidenebutanoic acid;hydrofluoride
CID 87502083

Frequently Asked Questions

What is the IUPAC name of 2-iodobut-1-ene?
The IUPAC name of 2-iodobut-1-ene (CID 14042947) is 2-iodobut-1-ene.
What is the SMILES notation for 2-iodobut-1-ene?
The canonical SMILES for 2-iodobut-1-ene is C=C(I)CC.
What is the InChIKey of 2-iodobut-1-ene?
The InChIKey is OAGSUVCXVPDHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7I/c1-3-4(2)5/h2-3H2,1H3.
What are the key properties of 2-iodobut-1-ene?
2-iodobut-1-ene has a molecular weight of 182.00 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodobut-1-ene is sourced from PubChem (CID 14042947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).