(1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane

C8H13BrO — CID 10798262

IUPAC(1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane
SMILESCO[C@]12CCCC[C@H]1[C@@H]2Br
InChIInChI=1S/C8H13BrO/c1-10-8-5-3-2-4-6(8)7(8)9/h6-7H,2-5H2,1H3/t6-,7-,8+/m0/s1
InChIKeyLYUCWCLTZRVJBU-BIIVOSGPSA-N
MW205.09 g/mol
LogP2.34
Rot. Bonds1

About (1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane

(1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane (PubChem CID 10798262) has the molecular formula C8H13BrO and a molecular weight of 205.09 g/mol. Its IUPAC name is (1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane
PubChem CID10798262
Molecular FormulaC8H13BrO
Molecular Weight205.09 g/mol
Exact Mass204.01
IUPAC Name(1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane
SMILESCO[C@]12CCCC[C@H]1[C@@H]2Br
InChIInChI=1S/C8H13BrO/c1-10-8-5-3-2-4-6(8)7(8)9/h6-7H,2-5H2,1H3/t6-,7-,8+/m0/s1
InChIKeyLYUCWCLTZRVJBU-BIIVOSGPSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.34
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,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane?
The IUPAC name of (1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane (CID 10798262) is (1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane is CO[C@]12CCCC[C@H]1[C@@H]2Br.
What is the InChIKey of (1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane?
The InChIKey is LYUCWCLTZRVJBU-BIIVOSGPSA-N. The full InChI is InChI=1S/C8H13BrO/c1-10-8-5-3-2-4-6(8)7(8)9/h6-7H,2-5H2,1H3/t6-,7-,8+/m0/s1.
What are the key properties of (1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane?
(1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane has a molecular weight of 205.09 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7S)-7-bromo-1-methoxybicyclo[4.1.0]heptane is sourced from PubChem (CID 10798262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).