CID 114986535

C5H8Br — CID 114986535

IUPAC—
SMILESBr[C]1CCCC1
InChIInChI=1S/C5H8Br/c6-5-3-1-2-4-5/h1-4H2
InChIKeySRCWWXMJANXMRC-UHFFFAOYSA-N
MW148.02 g/mol
LogP2.49
Rot. Bonds

About CID 114986535

CID 114986535 (PubChem CID 114986535) has the molecular formula C5H8Br and a molecular weight of 148.02 g/mol.

Molecular Properties

Compound NameCID 114986535
PubChem CID114986535
Molecular FormulaC5H8Br
Molecular Weight148.02 g/mol
Exact Mass146.98
IUPAC Name—
SMILESBr[C]1CCCC1
InChIInChI=1S/C5H8Br/c6-5-3-1-2-4-5/h1-4H2
InChIKeySRCWWXMJANXMRC-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.02
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 114986535?
The IUPAC name of CID 114986535 (CID 114986535) is not available.
What is the SMILES notation for CID 114986535?
The canonical SMILES for CID 114986535 is Br[C]1CCCC1.
What is the InChIKey of CID 114986535?
The InChIKey is SRCWWXMJANXMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br/c6-5-3-1-2-4-5/h1-4H2.
What are the key properties of CID 114986535?
CID 114986535 has a molecular weight of 148.02 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 114986535 is sourced from PubChem (CID 114986535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).