1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene

C4H7Br — CID 76973307

IUPAC1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene
SMILES[13CH3]C([13CH3])=[13CH]Br
InChIInChI=1S/C4H7Br/c1-4(2)3-5/h3H,1-2H3/i1+1,2+1,3+1
InChIKeyDEFNUDNHTUZJAL-VMIGTVKRSA-N
MW137.98 g/mol
LogP2.31
Rot. Bonds

About 1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene

1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene (PubChem CID 76973307) has the molecular formula C4H7Br and a molecular weight of 137.98 g/mol. Its IUPAC name is 1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene.

Molecular Properties

Compound Name1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene
PubChem CID76973307
Molecular FormulaC4H7Br
Molecular Weight137.98 g/mol
Exact Mass136.98
IUPAC Name1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene
SMILES[13CH3]C([13CH3])=[13CH]Br
InChIInChI=1S/C4H7Br/c1-4(2)3-5/h3H,1-2H3/i1+1,2+1,3+1
InChIKeyDEFNUDNHTUZJAL-VMIGTVKRSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.98
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(E)-1-bromo-2,3,3-trimethylbut-1-ene
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CID 54097343
(E)-3-bromo-2-methylprop-2-enal
CID 11008075
CID 175709323
CID 175709323
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CID 174293100
1-bromo-2,6,10-trimethylundeca-1,5,9-triene
CID 86044295
1-bromoprop-1-en-2-yloxy(trimethyl)silane
CID 71393586
(1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene
CID 58730070
lithium;hydride;2-methylbut-2-ene
CID 174648153
2-methylbut-2-ene;silane;hydrate
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene?
The IUPAC name of 1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene (CID 76973307) is 1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene.
What is the SMILES notation for 1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene?
The canonical SMILES for 1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene is [13CH3]C([13CH3])=[13CH]Br.
What is the InChIKey of 1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene?
The InChIKey is DEFNUDNHTUZJAL-VMIGTVKRSA-N. The full InChI is InChI=1S/C4H7Br/c1-4(2)3-5/h3H,1-2H3/i1+1,2+1,3+1.
What are the key properties of 1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene?
1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene has a molecular weight of 137.98 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene is sourced from PubChem (CID 76973307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).