3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C14H15BrCl2N2O — CID 58134972

IUPAC3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESClc1ccc(CN2CCC3(CC2)CC(Br)=NO3)cc1Cl
InChIInChI=1S/C14H15BrCl2N2O/c15-13-8-14(20-18-13)3-5-19(6-4-14)9-10-1-2-11(16)12(17)7-10/h1-2,7H,3-6,8-9H2
InChIKeyALOMMPBTJVBRKZ-UHFFFAOYSA-N
MW378.10 g/mol
LogP4.46
Rot. Bonds2

About 3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 58134972) has the molecular formula C14H15BrCl2N2O and a molecular weight of 378.10 g/mol. Its IUPAC name is 3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID58134972
Molecular FormulaC14H15BrCl2N2O
Molecular Weight378.10 g/mol
Exact Mass375.97
IUPAC Name3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESClc1ccc(CN2CCC3(CC2)CC(Br)=NO3)cc1Cl
InChIInChI=1S/C14H15BrCl2N2O/c15-13-8-14(20-18-13)3-5-19(6-4-14)9-10-1-2-11(16)12(17)7-10/h1-2,7H,3-6,8-9H2
InChIKeyALOMMPBTJVBRKZ-UHFFFAOYSA-N
XLogP4.46
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.10
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 58134972) is 3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is Clc1ccc(CN2CCC3(CC2)CC(Br)=NO3)cc1Cl.
What is the InChIKey of 3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is ALOMMPBTJVBRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrCl2N2O/c15-13-8-14(20-18-13)3-5-19(6-4-14)9-10-1-2-11(16)12(17)7-10/h1-2,7H,3-6,8-9H2.
What are the key properties of 3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 378.10 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 58134972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).