4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine

C21H24BrNO — CID 3302078

IUPAC4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine
SMILESBrc1ccc(C=C2CCC(C3=CCCC3)=C2N2CCOCC2)cc1
InChIInChI=1S/C21H24BrNO/c22-19-8-5-16(6-9-19)15-18-7-10-20(17-3-1-2-4-17)21(18)23-11-13-24-14-12-23/h3,5-6,8-9,15H,1-2,4,7,10-14H2
InChIKeySDGSBWBNQHETBC-UHFFFAOYSA-N
MW386.33 g/mol
LogP5.32
Rot. Bonds3

About 4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine

4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine (PubChem CID 3302078) has the molecular formula C21H24BrNO and a molecular weight of 386.33 g/mol. Its IUPAC name is 4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine
PubChem CID3302078
Molecular FormulaC21H24BrNO
Molecular Weight386.33 g/mol
Exact Mass385.10
IUPAC Name4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine
SMILESBrc1ccc(C=C2CCC(C3=CCCC3)=C2N2CCOCC2)cc1
InChIInChI=1S/C21H24BrNO/c22-19-8-5-16(6-9-19)15-18-7-10-20(17-3-1-2-4-17)21(18)23-11-13-24-14-12-23/h3,5-6,8-9,15H,1-2,4,7,10-14H2
InChIKeySDGSBWBNQHETBC-UHFFFAOYSA-N
XLogP5.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine?
The IUPAC name of 4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine (CID 3302078) is 4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine.
What is the SMILES notation for 4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine?
The canonical SMILES for 4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine is Brc1ccc(C=C2CCC(C3=CCCC3)=C2N2CCOCC2)cc1.
What is the InChIKey of 4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine?
The InChIKey is SDGSBWBNQHETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrNO/c22-19-8-5-16(6-9-19)15-18-7-10-20(17-3-1-2-4-17)21(18)23-11-13-24-14-12-23/h3,5-6,8-9,15H,1-2,4,7,10-14H2.
What are the key properties of 4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine?
4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine has a molecular weight of 386.33 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine is sourced from PubChem (CID 3302078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).