3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C15H19BrN2O — CID 58134935

IUPAC3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESBrC1=NOC2(CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C15H19BrN2O/c16-14-12-15(19-17-14)7-10-18(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyMFGWJBPMOVMGKN-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.19
Rot. Bonds3

About 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 58134935) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID58134935
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESBrC1=NOC2(CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C15H19BrN2O/c16-14-12-15(19-17-14)7-10-18(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyMFGWJBPMOVMGKN-UHFFFAOYSA-N
XLogP3.19
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 58134935) is 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is BrC1=NOC2(CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is MFGWJBPMOVMGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-14-12-15(19-17-14)7-10-18(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2.
What are the key properties of 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 323.23 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 58134935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).