4-(4-bromophenyl)morpholine-3-carbonitrile

C11H11BrN2O — CID 117009072

IUPAC4-(4-bromophenyl)morpholine-3-carbonitrile
SMILESN#CC1COCCN1c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O/c12-9-1-3-10(4-2-9)14-5-6-15-8-11(14)7-13/h1-4,11H,5-6,8H2
InChIKeyWACKEPZSBYESSE-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.18
Rot. Bonds1

About 4-(4-bromophenyl)morpholine-3-carbonitrile

4-(4-bromophenyl)morpholine-3-carbonitrile (PubChem CID 117009072) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 4-(4-bromophenyl)morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-bromophenyl)morpholine-3-carbonitrile
PubChem CID117009072
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name4-(4-bromophenyl)morpholine-3-carbonitrile
SMILESN#CC1COCCN1c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O/c12-9-1-3-10(4-2-9)14-5-6-15-8-11(14)7-13/h1-4,11H,5-6,8H2
InChIKeyWACKEPZSBYESSE-UHFFFAOYSA-N
XLogP2.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)morpholine-3-carbonitrile?
The IUPAC name of 4-(4-bromophenyl)morpholine-3-carbonitrile (CID 117009072) is 4-(4-bromophenyl)morpholine-3-carbonitrile.
What is the SMILES notation for 4-(4-bromophenyl)morpholine-3-carbonitrile?
The canonical SMILES for 4-(4-bromophenyl)morpholine-3-carbonitrile is N#CC1COCCN1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)morpholine-3-carbonitrile?
The InChIKey is WACKEPZSBYESSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-9-1-3-10(4-2-9)14-5-6-15-8-11(14)7-13/h1-4,11H,5-6,8H2.
What are the key properties of 4-(4-bromophenyl)morpholine-3-carbonitrile?
4-(4-bromophenyl)morpholine-3-carbonitrile has a molecular weight of 267.13 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)morpholine-3-carbonitrile is sourced from PubChem (CID 117009072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).