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

C15H19BrN2O — CID 90949097

IUPAC3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESBrC1=CC2(CCN(CCc3ccccc3)CC2)ON1
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/h1-5,12,17H,6-11H2
InChIKeyGZESIDHKQYOXAK-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.83
Rot. Bonds3

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

3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (PubChem CID 90949097) 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-3-ene.

Molecular Properties

Compound Name3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
PubChem CID90949097
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESBrC1=CC2(CCN(CCc3ccccc3)CC2)ON1
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/h1-5,12,17H,6-11H2
InChIKeyGZESIDHKQYOXAK-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-Bromo-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91283152
3-Bromo-8-(3-phenylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 58134902
3-Bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 58134935
3-Bromo-8-(3-phenylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 90871222
8-Benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91070069
3-Bromo-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91259742
3-Bromo-8-[(4-ethynylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91278124
3-Benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91503266
3-(2-Phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91595851
1-(3-Bromo-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)-3-phenylpropan-1-one
CID 123524507
O-[1-(2-phenylethyl)piperidin-4-yl]hydroxylamine
CID 84129759

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The IUPAC name of 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (CID 90949097) is 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene is BrC1=CC2(CCN(CCc3ccccc3)CC2)ON1.
What is the InChIKey of 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The InChIKey is GZESIDHKQYOXAK-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/h1-5,12,17H,6-11H2.
What are the key properties of 3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
3-bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene has a molecular weight of 323.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 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-3-ene is sourced from PubChem (CID 90949097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).