2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine

C10H18BrNO2 — CID 81211092

IUPAC2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine
SMILESCC1COC(CBr)CN1C1CCOC1
InChIInChI=1S/C10H18BrNO2/c1-8-6-14-10(4-11)5-12(8)9-2-3-13-7-9/h8-10H,2-7H2,1H3
InChIKeySWYBIWQBIPLHKZ-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.26
Rot. Bonds2

About 2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine

2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine (PubChem CID 81211092) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine
PubChem CID81211092
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine
SMILESCC1COC(CBr)CN1C1CCOC1
InChIInChI=1S/C10H18BrNO2/c1-8-6-14-10(4-11)5-12(8)9-2-3-13-7-9/h8-10H,2-7H2,1H3
InChIKeySWYBIWQBIPLHKZ-UHFFFAOYSA-N
XLogP1.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine?
The IUPAC name of 2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine (CID 81211092) is 2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine?
The canonical SMILES for 2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine is CC1COC(CBr)CN1C1CCOC1.
What is the InChIKey of 2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine?
The InChIKey is SWYBIWQBIPLHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-8-6-14-10(4-11)5-12(8)9-2-3-13-7-9/h8-10H,2-7H2,1H3.
What are the key properties of 2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine?
2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine has a molecular weight of 264.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine is sourced from PubChem (CID 81211092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).