(1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane

C9H15BrO — CID 142304143

IUPAC(1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane
SMILESC.O=C1C[C@H]2CC(CBr)CC12
InChIInChI=1S/C8H11BrO.CH4/c9-4-5-1-6-3-8(10)7(6)2-5;/h5-7H,1-4H2;1H4/t5?,6-,7?;/m1./s1
InChIKeyRCSAEOCBXCVHOF-VEQLOYFHSA-N
MW219.12 g/mol
LogP2.63
Rot. Bonds1

About (1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane

(1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane (PubChem CID 142304143) has the molecular formula C9H15BrO and a molecular weight of 219.12 g/mol. Its IUPAC name is (1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane.

Molecular Properties

Compound Name(1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane
PubChem CID142304143
Molecular FormulaC9H15BrO
Molecular Weight219.12 g/mol
Exact Mass218.03
IUPAC Name(1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane
SMILESC.O=C1C[C@H]2CC(CBr)CC12
InChIInChI=1S/C8H11BrO.CH4/c9-4-5-1-6-3-8(10)7(6)2-5;/h5-7H,1-4H2;1H4/t5?,6-,7?;/m1./s1
InChIKeyRCSAEOCBXCVHOF-VEQLOYFHSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane?
The IUPAC name of (1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane (CID 142304143) is (1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane.
What is the SMILES notation for (1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane?
The canonical SMILES for (1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane is C.O=C1C[C@H]2CC(CBr)CC12.
What is the InChIKey of (1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane?
The InChIKey is RCSAEOCBXCVHOF-VEQLOYFHSA-N. The full InChI is InChI=1S/C8H11BrO.CH4/c9-4-5-1-6-3-8(10)7(6)2-5;/h5-7H,1-4H2;1H4/t5?,6-,7?;/m1./s1.
What are the key properties of (1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane?
(1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane has a molecular weight of 219.12 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane is sourced from PubChem (CID 142304143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).