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

C13H15ClN2O — CID 90822069

IUPAC3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESClc1ccc(C2=CC3(CCNCC3)ON2)cc1
InChIInChI=1S/C13H15ClN2O/c14-11-3-1-10(2-4-11)12-9-13(17-16-12)5-7-15-8-6-13/h1-4,9,15-16H,5-8H2
InChIKeyMYEXCXHUHDSRGJ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.34
Rot. Bonds1

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

3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (PubChem CID 90822069) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
PubChem CID90822069
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESClc1ccc(C2=CC3(CCNCC3)ON2)cc1
InChIInChI=1S/C13H15ClN2O/c14-11-3-1-10(2-4-11)12-9-13(17-16-12)5-7-15-8-6-13/h1-4,9,15-16H,5-8H2
InChIKeyMYEXCXHUHDSRGJ-UHFFFAOYSA-N
XLogP2.34
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 56976968
4-[[3-(4-Chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
CID 57201017
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine
CID 57235122
1-[1-(4-Chlorophenyl)ethenyl]piperazine
CID 57982272
[4-[(4-Chlorophenyl)methyl]piperazin-2-ylidene]methanone
CID 87920368
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate
CID 90784345
N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90795742
3-(4-chlorophenyl)-N-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carbothioamide
CID 90894710
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-[(4-methylphenyl)methyl]carbamate
CID 90928494
3-Chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 90941538
3-(4-chlorophenyl)-N-cyclooctyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carbothioamide
CID 91021578
[3-(4-Chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-4-yl] hydrogen carbonate
CID 91032242

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The IUPAC name of 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (CID 90822069) is 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene is Clc1ccc(C2=CC3(CCNCC3)ON2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The InChIKey is MYEXCXHUHDSRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-11-3-1-10(2-4-11)12-9-13(17-16-12)5-7-15-8-6-13/h1-4,9,15-16H,5-8H2.
What are the key properties of 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene has a molecular weight of 250.73 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene is sourced from PubChem (CID 90822069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).