1-bromo-2-methylcyclobutene

C5H7Br — CID 45090410

IUPAC1-bromo-2-methylcyclobutene
SMILESCC1=C(Br)CC1
InChIInChI=1S/C5H7Br/c1-4-2-3-5(4)6/h2-3H2,1H3
InChIKeyWHGLESANVVYUGY-UHFFFAOYSA-N
MW147.01 g/mol
LogP2.45
Rot. Bonds

About 1-bromo-2-methylcyclobutene

1-bromo-2-methylcyclobutene (PubChem CID 45090410) has the molecular formula C5H7Br and a molecular weight of 147.01 g/mol. Its IUPAC name is 1-bromo-2-methylcyclobutene.

Molecular Properties

Compound Name1-bromo-2-methylcyclobutene
PubChem CID45090410
Molecular FormulaC5H7Br
Molecular Weight147.01 g/mol
Exact Mass145.97
IUPAC Name1-bromo-2-methylcyclobutene
SMILESCC1=C(Br)CC1
InChIInChI=1S/C5H7Br/c1-4-2-3-5(4)6/h2-3H2,1H3
InChIKeyWHGLESANVVYUGY-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.01
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methylcyclobutene?
The IUPAC name of 1-bromo-2-methylcyclobutene (CID 45090410) is 1-bromo-2-methylcyclobutene.
What is the SMILES notation for 1-bromo-2-methylcyclobutene?
The canonical SMILES for 1-bromo-2-methylcyclobutene is CC1=C(Br)CC1.
What is the InChIKey of 1-bromo-2-methylcyclobutene?
The InChIKey is WHGLESANVVYUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Br/c1-4-2-3-5(4)6/h2-3H2,1H3.
What are the key properties of 1-bromo-2-methylcyclobutene?
1-bromo-2-methylcyclobutene has a molecular weight of 147.01 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methylcyclobutene is sourced from PubChem (CID 45090410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).