3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one

C9H14BrNO2 — CID 170450240

IUPAC3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCC(Br)CC1
InChIInChI=1S/C9H14BrNO2/c10-7-1-3-8(4-2-7)11-5-6-13-9(11)12/h7-8H,1-6H2
InChIKeyHJBZLPMNYPPVLC-UHFFFAOYSA-N
MW248.12 g/mol
LogP2.14
Rot. Bonds1

About 3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one

3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one (PubChem CID 170450240) has the molecular formula C9H14BrNO2 and a molecular weight of 248.12 g/mol. Its IUPAC name is 3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one
PubChem CID170450240
Molecular FormulaC9H14BrNO2
Molecular Weight248.12 g/mol
Exact Mass247.02
IUPAC Name3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCC(Br)CC1
InChIInChI=1S/C9H14BrNO2/c10-7-1-3-8(4-2-7)11-5-6-13-9(11)12/h7-8H,1-6H2
InChIKeyHJBZLPMNYPPVLC-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one (CID 170450240) is 3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one is O=C1OCCN1C1CCC(Br)CC1.
What is the InChIKey of 3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one?
The InChIKey is HJBZLPMNYPPVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2/c10-7-1-3-8(4-2-7)11-5-6-13-9(11)12/h7-8H,1-6H2.
What are the key properties of 3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one?
3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one has a molecular weight of 248.12 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 170450240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).